data_1auz_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 1auz _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' LEU . . . . . 0.854 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.9 tp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.797 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -102.81 -160.19 25.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.535 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 179.09 133.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.406 0.709 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.546 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -144.23 144.24 31.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.667 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.2 mtp -138.81 135.33 34.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.655 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t-20 -143.11 145.29 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -115.36 133.91 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.69 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -137.86 105.9 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.569 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 64.5 -26.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.69 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 159.74 -6.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.951 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 10.1 p -85.7 120.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.659 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.97 98.32 10.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.669 ' HB3' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -73.78 133.61 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -124.43 97.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -93.08 101.12 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 6.3 mt -98.18 133.3 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.797 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -133.5 114.06 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.854 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.95 -118.44 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.603 ' OE2' ' CG ' ' A' ' 54' ' ' PHE . 3.1 mt-10 -120.77 158.73 26.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.586 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -121.59 83.16 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.594 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.02 168.66 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.738 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -45.75 -22.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.738 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.3 m-70 -80.14 -49.82 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.51 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -80.72 -31.75 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB3' ' CA ' ' A' ' 59' ' ' GLY . . . -65.36 -16.03 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -66.27 -48.4 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.465 ' O ' ' CD ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.82 -45.75 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -69.87 -27.5 64.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.47 -43.87 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.49 -35.76 75.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.6 tttp -61.55 -15.5 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' NH1' ' A' ' 66' ' ' ARG . 39.4 t -64.57 -57.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.93 -39.17 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.415 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 12.8 mt-30 -63.51 -45.56 90.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.2 -27.02 53.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 mt -52.46 -40.63 62.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.8 mp0 -168.13 79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -65.74 -48.55 71.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.5 m-20 176.43 -96.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 25.0 t70 -77.49 -109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.528 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.4 mm -149.15 83.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.73 -163.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.659 ' O ' ' N ' ' A' ' 13' ' ' LEU . 40.4 m-70 -134.27 157.21 46.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.718 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -107.62 160.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.83 HG13 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -157.75 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.96 151.35 27.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.745 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.66 108.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -98.9 123.22 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.85 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 36.1 t0 -119.06 64.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.567 ' CD1' ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -90.83 109.09 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.3 t -125.76 -89.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.868 ' O ' ' HE1' ' A' ' 55' ' ' MET . 66.3 t80 -47.18 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.868 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 35.49 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.7 -147.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -96.11 24.01 6.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -89.66 -55.61 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.06 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -85.85 -15.06 66.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.82 -43.56 48.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 0.807 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.86 -33.37 30.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.51 -28.44 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.21 -34.64 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.99 -33.66 76.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' C ' ' NH2' ' A' ' 66' ' ' ARG . . . -61.3 -30.34 73.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.555 ' NH1' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.57 -46.28 55.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.09 -45.24 42.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -84.76 10.22 11.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.579 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -154.56 152.37 29.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.718 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.02 125.1 53.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.57 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 86.7 t -126.18 156.14 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.658 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 14.7 p -158.17 135.68 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 3.4 p -138.89 -167.77 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 78.54 36.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.615 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 3.1 tp -75.58 -157.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.536 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -176.77 169.74 1.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -9.06 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.21 25.7 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 ' CG2' ' HE3' ' A' ' 55' ' ' MET . 3.2 t -139.7 -36.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.08 -11.79 60.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -24.36 64.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.85 -45.78 87.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.698 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 18.3 m-85 -85.83 -22.86 27.4 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -33.98 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.0 ttt -83.56 -36.42 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -28.49 68.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.98 10.61 65.29 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.5 tp -106.65 9.08 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.586 0.815 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -49.11 -36.28 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -21.44 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.681 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.31 -12.7 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.572 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 29.7 mm -117.32 -11.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 1.1 ttp180 33.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.658 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -103.71 172.29 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.492 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -145.18 -143.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.867 ' O ' ' N ' ' A' ' 105' ' ' GLU . 85.3 mt-30 -154.35 93.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' ' 107' ' ' GLN . 12.9 t 50.79 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -35.83 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' A' ' 110' ' ' LEU . 4.6 tt0 -68.76 -13.92 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.809 ' N ' ' O ' ' A' ' 104' ' ' SER . 11.3 pt20 -33.41 -31.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.61 -53.52 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -63.97 -19.36 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . 13.1 tp -57.64 -35.71 70.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.685 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -56.92 -5.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.361 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 96.65 26.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 41.92 24.96 0.19 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 25.1 t -143.27 71.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 0.819 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.679 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.887 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -85.8 -156.1 26.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 178.01 134.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -147.87 143.06 27.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 31.3 mtt -139.41 138.72 36.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -146.56 147.82 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.26 136.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.71 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -140.2 106.52 5.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.567 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.72 -27.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.15 -5.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.609 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.6 p -86.1 124.49 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.59 96.97 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.644 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.5 m -72.12 136.01 46.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -128.34 102.71 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.54 102.31 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 3' ' ' GLY . 0.3 OUTLIER -95.92 131.73 41.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.887 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 149.9 -119.63 1.05 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -121.65 156.53 32.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.3 OUTLIER -117.92 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.635 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -141.49 171.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.765 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -46.5 -23.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.765 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.8 m-70 -79.19 -50.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.569 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -81.12 -30.0 34.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -61.31 -15.06 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.77 -51.93 65.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.09 -48.27 8.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 28' ' ' THR . 3.6 tp -71.8 -26.23 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.72 -44.17 81.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.695 ' O ' HG21 ' A' ' 34' ' ' THR . 16.9 pt20 -75.91 -19.73 58.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.376 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 66' ' ' ARG . 51.0 tptt -73.67 -31.78 63.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' SER . 3.0 t -62.08 -58.02 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.695 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.76 -31.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.582 HE21 ' N ' ' A' ' 35' ' ' GLN . 7.5 mm-40 -66.8 -39.32 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -76.95 -25.89 53.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -49.08 -35.02 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 7.8 mt-10 -168.44 75.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.47 -52.03 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 150.38 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.8 t0 -78.2 -127.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 6.2 mm -147.06 79.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.2 mpt_? -80.26 -164.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.716 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 33.3 m-70 -135.59 160.3 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.729 HD11 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.88 160.07 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.839 HG11 ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -158.53 84.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 110' ' ' LEU . 31.2 mt -82.98 152.96 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -178.66 108.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.487 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -99.56 114.61 27.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -23.36 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 27.9 t70 -118.71 62.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.588 ' CD1' ' HB3' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.54 108.8 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -125.44 -89.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.737 ' O ' ' HE1' ' A' ' 55' ' ' MET . 56.9 t80 -45.91 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.737 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 34.37 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.71 -151.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -96.13 30.51 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.449 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -94.78 -49.74 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -93.42 -9.95 59.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.427 1.079 . . . . 0.0 111.019 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.578 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.54 -43.33 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.45 -33.38 28.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -24.75 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.81 -35.32 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.508 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.44 -43.0 86.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -56.5 -24.04 44.98 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' NH2' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.99 -40.13 28.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.753 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -56.31 -43.3 78.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -85.27 8.82 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.46 ' CG ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.507 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' CD ' ' O ' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -150.75 145.49 25.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 0.716 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.696 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -112.53 124.64 52.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.644 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 46.0 t -128.23 155.72 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' A' ' 101' ' ' PHE . 10.7 p -153.58 131.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.436 ' SG ' HD23 ' A' ' 110' ' ' LEU . 8.2 p -139.05 -167.84 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . 79.58 21.5 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.641 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 tp -66.57 -154.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.533 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.29 175.3 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -75.01 -7.28 19.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.418 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -128.79 33.69 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 52' ' ' LEU . 3.1 t -147.48 -36.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -76.1 -6.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.55 -16.55 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.1 mt -70.92 -45.13 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.64 -21.28 28.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -34.15 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.6 ttt -80.4 -35.18 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -55.56 12.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.928 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.23 -10.79 54.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -86.3 8.92 19.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.92 -34.47 12.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -62.8 -21.51 65.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.667 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.78 -12.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.61 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 32.6 mm -116.84 -13.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 96' ' ' PHE . 55.7 mtt180 32.5 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.641 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -105.46 174.21 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -155.57 -145.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.819 ' O ' ' N ' ' A' ' 105' ' ' GLU . 81.5 mt-30 -155.64 97.98 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.784 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.5 t 53.22 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.819 ' N ' ' O ' ' A' ' 103' ' ' GLN . 43.8 tt0 -38.29 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -71.82 -13.43 61.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.9 pt20 -35.26 -30.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.34 -53.44 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLN . 1.0 OUTLIER -65.82 -17.17 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.623 1.202 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.609 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 12.6 tp -60.64 -41.34 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 3.8 m -59.18 -2.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.792 ' C ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.73 10.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.535 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 73.26 37.2 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.695 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 1.9 t -172.88 80.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 0.722 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.695 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.638 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.15 -167.89 37.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.473 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER 177.69 136.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.66 ' N ' ' O ' ' A' ' 16' ' ' ARG . 4.7 t0 -139.99 172.46 12.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.571 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.9 mtp -157.11 134.39 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.886 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -135.17 175.09 9.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.2 t -143.25 136.85 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.717 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.51 104.53 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.577 ' O ' ' OG ' ' A' ' 11' ' ' SER . 5.0 tt0 63.01 -27.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.09 -1.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.9 p -95.48 121.5 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.886 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.35 108.4 20.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.585 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -73.72 126.94 31.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' CG ' ' A' ' 6' ' ' MET . 9.6 mm -108.79 92.08 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.66 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -94.53 110.75 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD1' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.91 138.98 53.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -126.41 114.94 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.638 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.59 -131.61 2.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -125.82 153.18 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.35 103.69 12.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.58 164.91 35.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.465 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.6 p80 -41.03 -27.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -75.9 -55.42 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.562 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -78.29 -11.29 59.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.624 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.77 -26.13 49.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.33 -46.64 87.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -49.71 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 HD13 ' NH2' ' A' ' 66' ' ' ARG . 5.2 tp -66.54 -27.18 67.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.05 -42.37 49.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.546 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.88 -31.2 51.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 16.6 tptt -66.03 -11.89 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' LEU . 11.5 t -77.29 -55.34 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.546 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.67 -41.07 63.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.4 mt-30 -63.2 -47.96 80.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -23.35 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.564 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.28 -32.25 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 35.3 mt-10 -160.74 75.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.32 -48.46 61.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.8 m-20 167.41 -93.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 28.2 t70 -79.93 -120.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.59 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.68 83.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.96 -166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.725 ' CE1' HD23 ' A' ' 112' ' ' LEU . 39.6 m-70 -128.22 155.09 45.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.694 ' O ' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -103.27 159.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.856 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.7 t -158.21 85.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 110' ' ' LEU . 2.4 mm? -82.18 153.67 25.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 48' ' ' ASN . 3.4 t30 -178.28 109.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -110.01 127.59 54.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.72 -20.41 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 35.6 t0 -104.19 66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -89.28 101.84 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 t -112.63 -86.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' H ' ' HG3' ' A' ' 20' ' ' GLU . 71.4 t80 -73.47 -67.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.572 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER 34.93 82.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -104.76 -153.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.43 ' N ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -97.78 -3.77 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.465 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 4.3 m -59.48 -12.56 6.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -129.78 3.44 6.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -51.86 -55.37 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.31 59.13 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -60.97 -22.36 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.23 -38.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -66.12 -46.08 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.89 66.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.66 -30.57 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.73 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -59.01 -35.97 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' CE ' HD12 ' A' ' 98' ' ' ILE . 6.7 mmmt -86.05 -26.84 25.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 37' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 45' ' ' ILE . 4.6 mm-40 -148.46 149.5 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.589 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.8 123.67 47.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 111.003 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -114.38 155.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 101' ' ' PHE . 7.2 p -164.06 122.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.508 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -122.71 -170.57 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 68.84 65.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.61 HD11 ' CE1' ' A' ' 101' ' ' PHE . 10.6 tp -90.75 164.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.79 158.52 56.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.931 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -14.15 21.38 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.799 . . . . 0.0 110.976 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.12 30.51 6.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 1.2 t -142.62 -39.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' HB3' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.13 -12.45 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -24.69 62.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 57' ' ' SER . 5.0 mt -61.7 -41.93 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.709 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 30.9 m-85 -90.5 -24.05 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -34.02 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.31 -42.01 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -55.21 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.95 9.27 40.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' HG ' ' HB ' ' A' ' 98' ' ' ILE . 1.7 tp -107.56 11.65 28.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -43.34 -29.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 111.071 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -21.86 64.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.73 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.44 -17.68 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.648 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -108.53 -15.96 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.549 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 29.42 85.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.1 t80 -107.31 170.59 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.62 -146.7 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.884 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.3 mt-30 -148.61 90.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 107' ' ' GLN . 30.6 t 48.17 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 103' ' ' GLN . 33.4 tt0 -34.22 -33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.606 ' O ' ' N ' ' A' ' 110' ' ' LEU . 1.6 tt0 -57.13 -14.09 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -33.55 -32.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.199 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.39 -61.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -60.77 -20.84 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -53.6 -40.08 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.883 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.74 -2.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.883 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 97.36 19.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.37 36.17 45.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.639 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 78.9 t -151.16 70.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.699 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.848 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.75 -161.67 31.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 179.5 133.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -146.35 144.08 29.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.657 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 50.9 mtp -135.82 135.2 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.774 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.8 164.79 28.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -129.4 143.74 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.23 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.716 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.15 103.78 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.625 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 63.7 -28.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.226 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.716 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.96 0.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.7 p -94.53 121.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.26 103.05 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.657 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.8 OUTLIER -74.29 132.06 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 108.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -120.62 96.63 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -93.79 101.17 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 29' ' ' LEU . 5.7 mt -96.2 131.95 42.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.848 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -126.69 114.83 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.699 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.35 -104.45 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.399 1.062 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.48 ' HB3' ' OD1' ' A' ' 22' ' ' ASP . 2.4 mt-10 -146.72 156.61 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -119.84 84.38 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.548 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -128.52 169.95 13.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.736 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -49.42 -17.25 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.657 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.736 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.5 m-70 -86.99 -49.89 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.571 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -79.62 -30.8 41.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -54.71 -36.52 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.74 -51.93 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.42 -48.74 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 17' ' ' LEU . 5.6 tp -67.1 -27.41 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.61 -43.05 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.558 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.51 -29.14 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 22.8 tptt -70.36 -10.44 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 15.3 t -85.64 -51.66 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.558 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.05 -38.24 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.5 pp0? -57.84 -37.76 74.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.25 -27.24 42.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' CG ' ' A' ' 69' ' ' GLN . 1.1 mt -48.57 -40.73 28.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.89 74.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.75 -46.18 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.7 m-20 166.67 -91.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.37 -141.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -122.67 80.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.88 -168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.717 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 44.8 m-70 -131.27 157.61 42.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.629 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.807 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.69 157.81 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.823 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.6 t -155.87 85.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD2' ' HE2' ' A' ' 77' ' ' MET . 3.8 mm? -83.76 152.1 24.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -179.79 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.1 117.65 34.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -24.22 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 48.2 t0 -113.59 61.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -81.87 98.71 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -103.46 -80.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' GLU . 66.7 t80 -80.32 -69.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.63 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 37.44 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -106.52 -146.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -98.35 -2.01 40.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.411 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -56.03 -38.91 71.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.475 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -108.85 9.2 34.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -41.14 60.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 0.804 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.63 47.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -26.38 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -90.63 -34.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.53 -31.63 69.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -64.71 -27.43 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HB3' ' CE ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -77.5 -37.27 51.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -57.84 -46.08 85.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -85.26 9.82 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' CG ' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 75' ' ' GLY . 0.2 OUTLIER -149.91 144.75 26.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.807 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 4.3 tpt -108.52 126.98 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.623 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 48.3 t -130.62 156.77 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.61 HG21 ' CZ ' ' A' ' 101' ' ' PHE . 6.5 p -159.7 135.62 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 110' ' ' LEU . 14.4 p -133.15 -169.91 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 108.256 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 72.54 48.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.654 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 6.7 tp -79.45 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.556 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER 179.67 163.83 0.81 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.91 20.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.35 27.25 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 83' ' ' SER . 1.3 t -140.28 -34.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 10.1 ttpp -69.67 -12.08 61.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -20.3 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 57' ' ' SER . 4.3 mt -66.91 -45.36 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.715 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.37 -21.99 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.7 tpp -89.83 -30.9 17.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -66.41 -42.61 87.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.56 -7.84 71.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 ' CG2' ' A' ' 98' ' ' ILE . 7.9 tp -87.71 12.48 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.715 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -55.93 -25.02 41.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -63.3 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.803 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -97.75 11.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 100' ' ' ARG . 19.8 mm -123.93 -19.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 27.52 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.654 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -113.52 169.18 9.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -150.34 -144.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.874 ' O ' ' N ' ' A' ' 105' ' ' GLU . 65.3 mt-30 -149.49 92.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 18.8 t 50.45 -63.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.874 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.7 tt0 -34.99 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 110' ' ' LEU . 6.2 tt0 -67.94 -7.56 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tt0 -35.31 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.31 -50.16 6.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -64.64 -22.76 67.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.623 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 11.3 tp -55.87 -36.89 68.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.692 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.0 -7.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.742 HD12 ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 106.64 21.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.605 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 45.94 49.8 12.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.742 ' N ' HD12 ' A' ' 112' ' ' LEU . 1.4 t 179.04 74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.531 ' HB1' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.724 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.82 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -112.17 -168.85 18.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.513 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -179.36 136.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -146.12 143.63 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.626 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 24.9 mtt -131.82 133.11 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.817 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.34 164.79 27.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.51 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -131.2 143.38 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.703 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.63 103.95 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.549 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 63.54 -28.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.703 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.2 -1.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 44' ' ' HIS . 9.5 p -93.92 120.12 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.25 105.4 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.632 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -74.72 131.48 40.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.4 mp -118.99 91.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -93.46 108.59 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.72 136.33 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.82 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.5 p -127.51 114.33 17.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.62 -116.77 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.618 ' O ' ' CB ' ' A' ' 25' ' ' THR . 4.1 mt-10 -123.94 162.5 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 0.811 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -121.02 80.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -140.4 172.76 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.82 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -44.89 -31.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.82 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 69.6 m-70 -72.94 -50.93 20.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.63 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 3.2 p -76.81 -31.73 57.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -60.97 -24.4 66.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -55.26 -55.32 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.73 -47.56 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tp -70.92 -25.51 62.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -55.62 -44.16 76.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.685 ' O ' HG21 ' A' ' 34' ' ' THR . 17.9 pt20 -77.24 -19.34 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HG3' ' NH1' ' A' ' 66' ' ' ARG . 17.2 tptt -74.58 -30.4 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 2.7 t -64.37 -57.56 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.685 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.34 -31.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.597 HE21 ' N ' ' A' ' 35' ' ' GLN . 6.4 mm-40 -66.24 -42.28 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -76.5 -26.61 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.071 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -45.04 -39.44 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -165.51 76.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -69.26 -50.73 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.9 m-20 162.31 -92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.53 -114.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.569 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -149.32 82.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -82.57 -167.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.646 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 45.7 m-70 -133.41 155.63 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.635 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.712 HD11 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.44 160.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.844 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -157.83 84.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.75 154.29 22.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -179.33 109.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.4 123.05 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.13 -21.87 16.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.626 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 24.0 t0 -103.85 67.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.601 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -92.95 125.49 37.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' HE2' ' A' ' 55' ' ' MET . 7.6 t -136.28 -89.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.6 ' O ' ' HE2' ' A' ' 55' ' ' MET . 56.6 t80 -56.74 -67.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.962 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 38.36 94.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.4 -155.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -98.69 32.03 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -92.91 -40.69 10.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.043 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.504 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -100.54 -3.7 55.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.514 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.94 -44.02 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.3 -32.78 41.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -25.56 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.61 -34.74 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' CD2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.93 -44.18 85.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.81 -23.16 43.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -82.8 -36.56 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 1.7 t80 -59.78 -46.08 90.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' CE ' HD12 ' A' ' 98' ' ' ILE . 10.3 mmmt -79.41 4.25 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' NE2' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -153.34 154.73 35.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.725 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 4.2 tpt -113.53 128.25 56.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.575 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 54.2 t -126.92 149.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 11.0 p -155.7 135.17 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 9.4 p -138.51 -167.41 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 108.246 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 77.49 27.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.672 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.4 tp -66.86 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.177 . . . . 0.0 109.338 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.569 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.2 OUTLIER 177.3 170.92 0.41 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.098 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -131.67 24.86 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 HD22 ' A' ' 52' ' ' LEU . 12.2 t -136.22 -37.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -73.54 -8.3 55.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -74.21 -24.66 59.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.95 -44.42 85.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.712 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 17.0 m-85 -86.11 -19.88 29.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -34.08 66.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.72 -32.63 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t -66.2 -29.37 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.13 74.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.6 tp -120.57 9.95 10.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.712 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.29 -34.96 16.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.673 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.19 -9.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.676 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 40.5 mm -117.93 -13.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.377 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.506 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.53 87.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.672 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.34 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.02 -150.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.876 ' O ' ' N ' ' A' ' 105' ' ' GLU . 62.2 mt-30 -152.15 92.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.781 ' O ' ' N ' ' A' ' 107' ' ' GLN . 21.1 t 49.52 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.876 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -34.93 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.672 ' O ' ' N ' ' A' ' 110' ' ' LEU . 8.5 tt0 -65.23 -9.75 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.781 ' N ' ' O ' ' A' ' 104' ' ' SER . 32.6 tt0 -33.89 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -89.38 -53.27 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -64.8 -16.73 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.672 ' N ' ' O ' ' A' ' 106' ' ' GLN . 4.7 tp -57.09 -38.03 72.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.679 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -56.53 -5.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.679 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.4 tt 98.43 27.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.78 26.59 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 28.8 t -141.01 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.691 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.864 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -89.29 -154.1 28.64 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 177.28 133.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.69 141.92 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.629 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.6 mtt -136.28 134.61 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -138.83 162.13 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -129.1 142.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.723 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.03 104.93 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.1 tt0 62.57 -26.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.723 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.69 -5.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.644 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.9 p -84.63 126.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.01 100.01 11.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.645 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -73.41 133.75 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.354 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -125.15 96.72 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -92.46 105.04 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -97.94 129.56 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.373 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.864 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -127.47 114.48 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.691 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.07 -119.83 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.52 156.69 35.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.585 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -115.44 97.48 6.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.49 168.79 24.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.755 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -44.63 -25.01 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.562 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.1 m-70 -76.2 -51.71 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -81.71 -29.84 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB3' ' CA ' ' A' ' 59' ' ' GLY . . . -62.99 -14.35 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.28 -50.95 68.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.23 -50.09 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.455 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.4 tp -69.64 -25.98 64.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.057 . . . . 0.0 109.213 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -54.84 -45.02 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.564 ' O ' ' CG2' ' A' ' 34' ' ' THR . 15.9 pt20 -76.2 -36.8 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.233 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 34.4 tptt -60.16 -13.63 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 42.4 t -69.73 -56.44 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.564 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.64 -40.32 72.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.4 mt-30 -59.8 -43.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -24.11 53.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD21 ' CG ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -52.56 -34.51 50.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.15 77.07 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -69.13 -46.62 67.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.1 m-20 170.18 -94.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.83 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mm -147.74 91.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 11' ' ' SER . 2.6 mtm-85 -90.11 -165.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.833 ' CD2' HD23 ' A' ' 112' ' ' LEU . 93.4 m-70 -134.66 158.36 44.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.779 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.93 158.88 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.847 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -159.7 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.608 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 1.2 mp -83.22 152.43 25.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' OD1' ' NE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -178.32 108.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.45 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -21.08 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.726 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 37.8 t0 -103.66 67.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.615 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -94.43 123.84 38.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.367 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.472 ' O ' ' HE2' ' A' ' 55' ' ' MET . 0.9 OUTLIER -133.72 -88.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.423 1.077 . . . . 0.0 109.976 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' O ' ' HE2' ' A' ' 55' ' ' MET . 1.0 OUTLIER -64.09 -61.87 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.911 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 41.6 97.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 58' ' ' SER . 6.6 t70 -112.03 171.85 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.449 ' N ' ' CG ' ' A' ' 56' ' ' ASP . 1.6 t -68.81 -3.67 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 5.2 m -56.89 -44.41 82.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -87.31 -8.11 75.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.29 -43.25 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.48 -33.49 31.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.29 -24.94 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.763 . . . . 0.0 109.202 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.52 -35.02 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD23 ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -63.35 -42.16 98.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -54.89 -33.8 56.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -70.36 -42.89 71.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.715 ' CG ' ' HG3' ' A' ' 77' ' ' MET . 2.4 t80 -53.66 -46.01 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -89.8 24.56 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.501 ' CG ' HD21 ' A' ' 37' ' ' LEU . 1.9 mp0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 45' ' ' ILE . 5.0 mm-40 -138.78 146.97 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.779 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -120.07 122.97 42.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.732 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 2.9 t -132.85 156.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.611 HG21 ' CE2' ' A' ' 101' ' ' PHE . 12.3 p -157.8 131.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.462 ' SG ' HD23 ' A' ' 110' ' ' LEU . 21.2 p -130.82 -171.34 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 71.93 74.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.653 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 2.4 tp -113.61 -144.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.529 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 174.19 166.46 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 0.96 8.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -134.02 23.09 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' CG2' ' CE ' ' A' ' 55' ' ' MET . 10.0 t -135.3 -36.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.73 58.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -70.76 -26.08 63.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.14 -45.64 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.6 m-85 -85.56 -22.01 28.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.39 -34.79 70.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.1 ttp -85.59 -31.8 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -66.29 -39.31 89.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.48 84.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.545 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 tp -111.85 9.56 20.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.97 -34.77 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -22.94 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.704 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -86.44 -8.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.497 ' O ' ' C ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -114.75 -14.93 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 99' ' ' ILE . 7.4 ttm180 30.68 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -114.11 171.96 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -152.21 -148.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.837 ' O ' ' N ' ' A' ' 105' ' ' GLU . 52.2 mt-30 -148.24 94.25 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.6 t 53.27 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.837 ' N ' ' O ' ' A' ' 103' ' ' GLN . 23.9 tt0 -39.0 -28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 108' ' ' ALA . 3.5 tt0 -74.43 -18.12 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 tp60 -33.39 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -80.69 -57.1 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -59.92 -27.11 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.732 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 15.4 tp -54.0 -40.17 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.738 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -59.5 -2.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 100.13 25.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.516 ' O ' HG11 ' A' ' 114' ' ' VAL . . . 75.81 71.77 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.658 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.5 OUTLIER 40.72 52.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.484 ' HA ' ' CD2' ' A' ' 112' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.751 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.6 tt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.767 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -114.25 -155.75 11.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 173.7 138.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -150.06 142.99 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.1 mtm -134.11 136.86 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -142.14 165.0 28.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -132.77 149.36 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.685 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -157.83 107.53 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.6 tt0 64.78 -28.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 158.63 -2.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.635 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.2 p -88.77 123.87 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -96.83 102.44 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.227 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.618 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -74.13 134.95 42.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -124.98 96.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ASP . 1.3 mtt180 -96.41 106.88 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.63 134.35 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.767 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -126.27 112.75 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.751 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 166.03 -118.11 0.78 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.85 164.78 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.596 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -119.41 80.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.644 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.53 169.49 17.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.787 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -49.31 -20.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.787 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.0 m-70 -84.63 -45.79 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.598 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 2.4 p -80.35 -32.96 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -69.74 -20.91 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -65.94 -53.34 40.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.49 -48.85 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD13 ' CG ' ' A' ' 32' ' ' LYS . 4.7 tp -65.94 -28.65 69.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -45.95 -42.94 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.35 -30.54 63.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.21 -14.44 61.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.482 HG23 ' CD ' ' A' ' 66' ' ' ARG . 13.7 t -83.03 -53.7 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -45.27 -38.39 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 36' ' ' SER . 2.3 pt20 -58.6 -41.94 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -76.45 -26.32 55.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -49.36 -33.89 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.6 mt-10 -163.24 73.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.35 -46.91 59.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 11.1 m-20 164.71 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -77.59 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 2.0 mm -147.42 85.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -82.98 -165.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.702 ' N ' ' O ' ' A' ' 11' ' ' SER . 41.2 m-70 -131.68 158.99 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.643 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.687 ' H ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.33 158.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -157.63 88.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.465 1.103 . . . . 0.0 109.191 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -85.5 154.22 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.8 t30 -178.03 107.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.93 125.39 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.17 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.8 t0 -105.1 67.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 55' ' ' MET . 1.0 OUTLIER -95.51 126.23 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' HE2' ' A' ' 55' ' ' MET . 16.2 t -138.92 -87.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CD2' ' OD2' ' A' ' 22' ' ' ASP . 68.1 t80 -54.81 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.931 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 36.16 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CB ' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -116.78 -149.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.4 p -93.67 29.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.472 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -94.51 -59.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -86.17 -11.2 73.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.437 1.086 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.558 HD23 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.47 -42.63 54.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.65 -34.61 30.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -24.24 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -91.51 -38.73 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -71.81 -29.79 64.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.77 -13.87 72.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.482 ' CD ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -85.21 -43.05 14.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.695 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.5 t80 -54.14 -47.06 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.47 1.23 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 45' ' ' ILE . 4.1 mm-40 -143.09 147.46 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.642 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.38 130.44 50.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -122.07 157.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.624 HG11 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -166.77 121.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.491 ' SG ' HD12 ' A' ' 110' ' ' LEU . 2.6 p -128.02 -169.45 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.227 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 72.89 37.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.609 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.8 OUTLIER -65.31 178.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.01 158.63 21.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.87 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.98 25.38 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.579 HG23 HD22 ' A' ' 52' ' ' LEU . 12.9 t -134.71 -38.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -74.04 -10.18 59.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.12 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.46 -39.51 85.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.614 ' HB3' ' CG ' ' A' ' 96' ' ' PHE . 97.1 m-85 -82.91 -23.51 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -35.65 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.1 ttp -89.66 -20.49 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t -66.62 -37.89 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.77 5.35 74.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.5 tp -114.52 10.93 16.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.614 ' CG ' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.43 -36.06 9.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -60.26 -22.35 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.695 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -80.51 -30.22 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.579 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 1.3 mp -93.49 -14.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER 29.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.624 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -103.44 167.48 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -139.98 -148.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.877 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.6 mt-30 -151.57 94.7 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.662 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.2 t 50.08 -62.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.027 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.1 tt0 -36.24 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.613 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.2 tt0 -61.76 -10.51 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -33.9 -31.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.69 -55.9 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.83 -16.93 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.709 ' O ' HG13 ' A' ' 78' ' ' VAL . 12.4 tp -57.09 -40.64 77.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.684 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -56.38 -6.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.477 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 106.94 21.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.604 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 44.95 49.76 9.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.775 ' N ' HD12 ' A' ' 112' ' ' LEU . 1.6 t -179.28 73.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 0.795 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.704 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.841 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.83 -163.92 35.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.534 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -179.63 130.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.534 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -138.33 156.38 47.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.66 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 82.8 mtp -148.47 133.79 18.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -144.02 140.84 29.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -110.73 144.96 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.672 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -154.32 107.87 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.0 tt0 65.76 -25.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.672 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 155.21 -5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.625 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 12.0 p -86.91 124.88 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.63 98.01 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.66 ' O ' ' HA ' ' A' ' 6' ' ' MET . 1.6 m -73.63 130.57 40.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -122.02 101.9 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.14 101.97 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.29 130.53 43.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.841 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.62 113.75 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.704 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.11 -113.57 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -123.68 160.2 27.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.577 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -121.51 80.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.1 p-10 -139.97 177.8 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.766 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -47.38 -29.25 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.766 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 76.6 m-70 -70.91 -54.02 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.4 p -78.2 -28.81 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -66.44 -15.54 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -72.87 -46.74 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.453 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -46.15 -48.54 17.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' CD1' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.35 -28.2 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -48.5 -42.45 32.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.569 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.29 -31.54 60.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.557 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 9.1 tmtm? -66.41 -12.69 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.508 ' CG2' HD12 ' A' ' 29' ' ' LEU . 13.9 t -75.59 -55.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.64 -38.32 60.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 15.3 mt-30 -62.86 -46.18 89.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -23.87 53.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.59 -39.45 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 63.0 mt-10 -161.97 72.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.4 ttpt -71.41 -47.32 56.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.4 m-20 166.79 -92.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.66 -116.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -149.77 86.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.2 -165.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 11' ' ' SER . 42.0 m-70 -132.86 159.36 40.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.846 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -110.46 161.51 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.827 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.2 t -158.06 84.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 110' ' ' LEU . 3.7 mm? -81.86 151.65 27.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -176.95 108.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.1 125.57 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -22.92 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.642 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 26.0 t0 -104.73 66.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.44 125.1 36.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.436 ' O ' ' HE2' ' A' ' 55' ' ' MET . 11.6 t -137.55 -87.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 2.3 t80 -62.36 -60.85 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.955 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 37.89 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' LEU . 15.5 t70 -108.36 171.03 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 56' ' ' ASP . 1.4 p -69.65 -4.22 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.499 ' HB3' ' N ' ' A' ' 23' ' ' HIS . 62.4 m -55.09 -38.21 67.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -94.19 -10.56 58.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.34 -45.19 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.22 -34.12 33.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.74 -38.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -67.25 -49.38 64.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -57.66 -24.7 53.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -30.5 31.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.2 t80 -62.18 -42.6 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.7 -31.19 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.486 ' CD ' ' CD1' ' A' ' 37' ' ' LEU . 2.4 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.625 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -156.52 157.59 35.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.846 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -122.4 131.22 53.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.573 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 67.7 t -126.02 151.46 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.604 HG21 ' CZ ' ' A' ' 101' ' ' PHE . 8.7 p -150.24 132.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 30.5 p -137.56 -169.09 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 77.03 29.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 3.3 tp -67.33 -149.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.577 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.16 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.43 21.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.432 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -126.09 30.92 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.5 ' CG2' ' HE1' ' A' ' 55' ' ' MET . 4.3 t -143.75 -37.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -9.24 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.62 -17.36 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.516 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 6.3 mt -70.48 -44.97 66.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.716 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 22.0 m-85 -85.18 -21.87 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -34.17 72.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.4 ttp -90.42 -26.63 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -66.82 -32.18 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.87 18.5 78.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.51 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.4 tp -123.1 9.17 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.62 -33.44 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.1 -23.48 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.701 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.04 -10.54 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.642 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 45.5 mm -116.4 -14.38 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.482 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER 32.75 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -104.37 173.69 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.41 -146.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.882 ' O ' ' N ' ' A' ' 105' ' ' GLU . 69.9 mt-30 -154.99 94.72 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' ' 107' ' ' GLN . 27.7 t 48.81 -63.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -34.71 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -64.76 -9.41 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tp-100 -33.64 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -84.7 -53.98 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -64.9 -18.93 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -55.37 -42.68 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.679 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -56.07 -4.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.356 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.679 ' HB3' ' O ' ' A' ' 111' ' ' THR . 3.1 tt 96.87 26.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 41.49 25.55 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.18 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 53.8 t -148.3 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.662 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -101.24 -169.04 28.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.481 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 175.53 135.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -141.89 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.8 mtp -156.17 136.16 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.915 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -138.9 173.67 11.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -139.16 132.2 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.744 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -141.58 104.31 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.4 tt0 62.29 -26.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.744 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.51 -5.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.613 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.1 p -92.12 121.38 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -95.47 106.47 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -73.24 127.95 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.381 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' CE ' ' A' ' 32' ' ' LYS . 1.7 mp -114.52 98.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -97.69 108.5 21.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -115.27 133.53 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -124.0 114.85 20.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.662 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.32 -111.21 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.09 159.9 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.577 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 0.3 OUTLIER -125.03 94.24 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -141.27 165.79 26.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.747 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -41.61 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.747 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.2 m-70 -86.77 -55.32 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 ' HB ' ' CD1' ' A' ' 2' ' ' LEU . 9.0 p -78.78 -2.5 39.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -79.34 -35.68 40.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.31 -49.15 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -44.85 -45.02 9.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.35 -28.53 62.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.25 -43.5 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.582 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.5 OUTLIER -59.93 -36.45 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.0 tptt -67.87 -18.15 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 29' ' ' LEU . 17.1 t -70.11 -56.46 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.61 -41.97 61.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.603 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 mt-30 -60.94 -46.3 91.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -23.15 54.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -51.24 -35.36 36.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 6.3 mt-10 -168.82 79.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.88 -50.87 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 150.37 -82.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.1 t0 -73.75 -130.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 11.6 mm -144.0 77.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -80.64 -166.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.775 ' CD2' HD23 ' A' ' 112' ' ' LEU . 81.0 m-70 -134.83 160.43 38.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.919 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -109.03 158.62 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.843 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.6 t -157.18 86.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 110' ' ' LEU . 1.6 mp -80.16 156.47 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.534 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -175.53 110.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' CD2' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.08 125.8 46.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -23.65 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' HA2' ' A' ' 19' ' ' GLY . 18.1 t0 -118.68 63.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.573 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -85.61 103.1 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 t -109.11 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 86.1 t80 -85.62 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.577 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 38.0 85.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' CB ' ' CE2' ' A' ' 54' ' ' PHE . 3.2 t70 -108.84 -149.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' HD23 ' A' ' 89' ' ' LEU . 77.7 p -100.65 -0.38 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.489 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 2.9 m -63.2 -12.03 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.63 10.0 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -54.39 32.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -56.31 -37.86 75.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -20.58 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.38 -32.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 98' ' ' ILE . 4.1 tp -75.48 -24.07 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -75.71 -15.61 81.18 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -91.9 -37.33 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 0.824 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.6 t80 -56.71 -45.27 81.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.486 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 2.4 mtmt -81.07 8.02 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 65' ' ' GLY . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.553 ' CD ' ' HA ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -162.0 147.26 13.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.919 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 5.0 tpt -108.0 130.45 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.657 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 21.9 t -128.85 149.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.629 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 6.8 p -145.82 138.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.508 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 1.8 p -126.33 -165.24 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' CYS . . . 74.14 43.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.667 HD11 ' CE1' ' A' ' 101' ' ' PHE . 5.6 tp -61.91 170.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.54 163.8 17.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.23 42.45 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.546 ' CG2' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -154.16 -37.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' CB ' ' CD1' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -76.62 -8.55 57.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -80.69 -16.48 53.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HG ' ' CD ' ' A' ' 88' ' ' ARG . 6.7 mt -73.0 -41.47 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.0 m-85 -87.69 -20.64 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -34.15 66.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -39.87 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -66.4 -29.95 70.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.1 1.92 57.44 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -95.65 9.7 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.08 -39.13 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -61.08 -20.41 62.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.743 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.64 -18.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.697 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -114.09 -11.63 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER 36.48 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.667 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.2 t80 -114.0 167.72 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' C ' ' CG ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -143.13 -134.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 105' ' ' GLU . 4.0 mt-30 -155.72 108.96 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.58 ' O ' ' N ' ' A' ' 106' ' ' GLN . 5.3 t 49.75 -76.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -31.92 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.58 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.8 tt0 -47.04 -24.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.575 ' HA ' ' CD1' ' A' ' 110' ' ' LEU . 31.4 tt0 -42.8 -20.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -92.0 -42.19 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 106' ' ' GLN . 33.5 tp -72.94 -22.31 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.657 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 75.7 mt -55.22 -46.54 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.714 ' O ' ' CD2' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -55.29 -2.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.451 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.775 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 99.09 18.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.13 19.91 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.525 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 2.4 t -149.21 80.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.772 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.869 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.69 -159.78 23.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 177.71 134.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.477 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -133.16 163.59 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.572 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 23.7 mtm -152.15 139.4 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.894 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.1 175.73 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.1 t -145.07 138.94 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.705 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.45 104.36 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.2 tt0 63.51 -29.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.705 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.51 -4.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.4 p -95.66 121.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.894 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -79.83 124.98 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.2 mp -113.94 101.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -91.25 117.29 29.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -102.14 127.07 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.06 115.68 18.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.772 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 144.7 -121.08 1.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 2' ' ' LEU . 1.1 mt-10 -126.03 157.54 37.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HB3' ' HE2' ' A' ' 55' ' ' MET . 1.2 mm? -121.14 99.94 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -149.28 165.19 32.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' H ' ' CB ' ' A' ' 58' ' ' SER . 1.9 p80 -41.7 -25.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.482 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -81.85 -56.3 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.553 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.492 ' HB ' ' CD2' ' A' ' 2' ' ' LEU . 25.6 p -79.85 -9.07 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -78.06 -15.18 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.53 -45.77 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -43.77 -48.13 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 tptt -56.81 -43.73 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.616 ' O ' ' CG2' ' A' ' 34' ' ' THR . 14.8 pt20 -74.26 -35.76 63.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 110.203 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 10.9 tptt -61.86 -13.54 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.508 HG11 ' CD2' ' A' ' 37' ' ' LEU . 14.8 t -74.97 -55.02 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.616 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.14 -38.85 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 16.8 mt-30 -61.52 -45.44 94.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.815 ' HG ' ' NH2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -76.7 -23.12 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 0.0 110.036 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -48.5 -33.31 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 32.6 mt-10 -160.9 76.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.99 -49.16 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.7 m-20 164.19 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 24.0 t70 -79.38 -111.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.557 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 2.0 mm -148.41 80.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.815 ' NH2' ' HG ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -82.05 -170.94 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 55.2 m-70 -128.59 159.14 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.521 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.735 HD11 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.31 161.01 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.862 HG11 ' O ' ' A' ' 46' ' ' VAL . 2.0 t -157.52 83.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.62 153.51 24.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 17.4 p-10 178.09 112.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.34 124.65 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -22.36 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.683 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 42.0 t0 -103.64 62.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.539 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 1.3 tm? -83.22 108.09 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -109.44 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 42.4 t80 -70.56 -79.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.834 ' HE2' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.55 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.576 ' N ' ' HE1' ' A' ' 55' ' ' MET . 5.3 t70 -112.23 -145.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.441 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 1.5 p -93.31 26.7 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -90.8 -55.31 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -85.82 -6.55 82.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.09 -42.67 60.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.95 -33.64 36.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -23.85 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG1' ' NH2' ' A' ' 66' ' ' ARG . 2.0 mt -95.79 -31.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 98' ' ' ILE . 4.1 tp -73.67 -27.25 61.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.4 -14.32 77.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NE ' HD13 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -91.04 -35.04 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.703 ' CD2' ' HB3' ' A' ' 77' ' ' MET . 2.0 t80 -60.93 -47.79 84.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -5.84 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.593 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -155.7 153.79 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.703 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.88 127.62 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.599 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 42.2 t -126.27 148.23 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.573 HG21 ' CE2' ' A' ' 101' ' ' PHE . 7.8 p -155.05 135.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 13.9 p -138.43 -169.6 2.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 74.92 40.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.606 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.3 tp -66.5 -146.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.569 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -177.89 162.23 1.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.5 18.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.01 30.61 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' CG1' HD13 ' A' ' 82' ' ' ILE . 1.1 t -145.9 -35.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 96' ' ' PHE . 4.0 ttpt -65.81 -18.89 65.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -21.91 66.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 57' ' ' SER . 0.2 OUTLIER -65.54 -46.8 78.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 60' ' ' LEU . 39.7 m-85 -84.6 -23.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -34.44 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.7 ttp -90.22 -26.53 20.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -42.98 89.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.94 86.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.09 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.9 tp -112.1 10.2 20.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 0.734 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.619 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -48.14 -33.29 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -61.75 -24.28 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.694 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.37 -9.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.652 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.8 mm -116.02 -13.3 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 31.03 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.606 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -103.39 171.23 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -145.54 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.866 ' O ' ' N ' ' A' ' 105' ' ' GLU . 49.9 mt-30 -152.21 92.69 1.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.79 ' O ' ' N ' ' A' ' 107' ' ' GLN . 25.3 t 49.73 -63.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.866 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.4 tt0 -34.52 -31.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' A' ' 110' ' ' LEU . 7.5 tt0 -65.65 -10.13 33.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.79 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.0 tp-100 -33.78 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.99 -53.66 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -64.91 -18.81 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' A' ' 106' ' ' GLN . 5.1 tp -55.77 -36.25 67.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -57.35 -5.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.664 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.7 tt 97.67 26.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 41.22 26.19 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 36.2 t -145.37 71.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.931 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.832 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -144.62 79.64 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 3.0 tp -70.59 151.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 26.7 t0 -141.51 170.41 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.594 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 34.7 mtp -156.96 134.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.648 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -143.52 164.69 29.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -133.41 142.21 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.722 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.11 104.74 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.28 -27.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.738 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 161.57 -3.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.639 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.9 p -88.28 120.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.06 102.94 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.637 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -77.76 131.54 37.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 1.6 mp -120.48 90.78 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -88.25 101.69 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 2' ' ' LEU . 1.9 tm? -103.39 124.9 49.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.832 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -127.9 110.38 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.931 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.42 -120.17 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -123.55 163.01 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.561 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -126.3 88.74 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -142.04 169.23 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.725 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -47.77 -16.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.555 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.725 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.1 m-70 -95.79 -52.88 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.646 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 22' ' ' ASP . 18.2 p -79.91 -20.72 45.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.15 -14.45 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -62.28 -46.97 86.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -43.16 -47.84 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.6 tp -72.67 -29.98 63.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -51.97 -43.41 63.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 17.5 pt20 -77.62 -33.34 53.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 0.4 OUTLIER -63.76 -12.1 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 11.8 t -75.52 -54.6 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -54.0 -39.06 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 19.9 mt-30 -62.73 -47.46 83.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -23.49 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -51.34 -34.13 32.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -165.26 76.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.252 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 8.0 ttpt -69.96 -47.12 63.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 165.86 -91.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.78 -140.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -125.95 82.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.63 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.62 -166.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.768 ' CD2' HD23 ' A' ' 112' ' ' LEU . 57.3 m-70 -127.8 159.98 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.62 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.794 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.56 157.67 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.85 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -159.01 84.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.583 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.7 mm? -83.44 153.1 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -176.72 107.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.63 122.49 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.95 -22.97 16.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 19' ' ' GLY . 15.5 t70 -121.45 66.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 55' ' ' MET . 0.1 OUTLIER -96.18 113.66 25.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -129.31 -88.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.727 ' O ' ' HE1' ' A' ' 55' ' ' MET . 59.2 t80 -47.56 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.728 ' CE ' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.43 87.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.47 -146.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -94.84 12.5 27.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.567 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -78.98 -61.07 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.56 -19.28 74.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.21 -44.47 53.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.24 -32.3 39.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -24.17 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.92 -34.68 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.62 -46.25 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.01 -9.77 42.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 2.1 mtp180 -100.29 -34.03 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.696 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -54.91 -35.19 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.64 -25.83 22.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.411 ' CG ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.525 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 12.9 mm-40 -144.41 147.36 33.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.794 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.97 125.82 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.662 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 1.1 t -125.1 158.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.634 HG12 ' CD2' ' A' ' 101' ' ' PHE . 10.0 p -166.89 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.435 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 72.58 40.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 3.7 tp -76.44 -144.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.533 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -177.87 161.94 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.69 11.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.39 27.07 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 52' ' ' LEU . 3.0 t -139.45 -36.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -71.15 -9.58 58.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' N ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -71.02 -23.12 62.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.344 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.05 -46.14 85.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.232 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.713 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 20.1 m-85 -85.74 -21.64 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -34.23 70.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ttt -83.92 -35.26 24.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t -65.46 -46.17 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.34 79.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.6 tp -94.07 10.65 32.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.81 -32.7 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.6 -22.35 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.696 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.17 -11.64 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.684 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.1 mm -115.37 -14.32 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER 32.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.66 171.49 7.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.0 -145.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.222 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.849 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.8 mt-30 -157.68 99.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.772 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.2 t 51.42 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.8 tt0 -38.16 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.6 tt0 -72.54 -23.0 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.237 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.8 tp60 -33.35 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -83.77 -62.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 HD22 ' CA ' ' A' ' 113' ' ' GLY . 0.2 OUTLIER -59.46 -16.89 26.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.662 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.9 -37.34 76.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.782 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -59.99 -0.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.782 ' HB3' ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 105.63 16.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.473 ' CA ' HD22 ' A' ' 109' ' ' LEU . . . 75.6 -4.71 41.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 115' ' ' ALA . 2.8 t -122.4 -139.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.572 ' CB ' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.832 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 tp . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.876 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -108.73 -156.11 17.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.567 1.167 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.55 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 178.92 134.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.55 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -145.43 144.82 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.684 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.1 mtp -137.76 136.05 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.778 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.62 164.56 28.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -127.83 140.59 48.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.708 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.55 103.75 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.3 tt0 63.41 -29.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.708 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.24 -2.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.653 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.0 p -91.87 123.48 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.778 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.74 101.8 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.684 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -71.56 130.23 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.2 mp -117.65 95.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 1.1 ttt180 -90.48 99.28 12.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -94.01 129.61 40.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.876 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.07 114.93 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.832 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.84 -118.99 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 25' ' ' THR . 3.3 mt-10 -129.54 155.74 45.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.734 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER -117.4 83.8 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.608 ' OD1' ' N ' ' A' ' 25' ' ' THR . 26.3 p30 -130.22 177.32 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.742 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.0 p80 -55.22 -16.56 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.742 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.4 m-70 -88.15 -47.84 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.608 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 6.6 p -78.48 -33.23 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.066 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -53.18 -46.12 68.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -53.51 -51.0 64.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 110.352 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 25' ' ' THR . 14.5 m -44.44 -46.64 9.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -68.42 -30.56 69.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.38 -44.38 62.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.606 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -73.63 -33.89 64.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.644 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -73.37 -12.87 60.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 57.6 t -88.68 -52.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.606 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -43.12 -33.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.644 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 17.1 mt-30 -66.75 -46.25 76.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -77.85 -24.34 48.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -50.13 -32.46 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 56.9 mt-10 -160.45 74.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.99 -43.17 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.0 m-20 159.99 -84.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 40.7 t0 -74.6 -130.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.56 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -138.25 86.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.688 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 1.7 mtt85 -84.45 -166.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.729 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 70.1 m-70 -128.59 162.59 26.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.36 155.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.841 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.6 t -158.68 85.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -83.11 152.5 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -177.1 109.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.33 119.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.97 -23.24 18.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 54.7 t0 -114.42 63.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -84.44 104.63 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 t -111.62 -85.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CB ' ' CD ' ' A' ' 20' ' ' GLU . 30.3 t80 -75.19 -61.09 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.527 ' HG3' ' CB ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 31.77 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.072 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.39 -152.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 2.89 43.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -53.46 -36.74 61.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.72 7.98 31.86 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -50.41 -45.96 55.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.77 79.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -21.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.88 -40.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 0.2 OUTLIER -69.18 -47.59 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.32 -12.21 63.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.521 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 1.2 mpt_? -98.64 -43.38 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -41.37 -37.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.489 ' CE ' HD12 ' A' ' 98' ' ' ILE . 5.0 mmmt -81.2 -34.56 32.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 66' ' ' ARG . 2.7 mt-30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.516 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 21.1 mm-40 -144.88 147.9 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.796 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.744 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.25 119.66 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.656 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 21.1 t -131.01 151.64 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.586 HG21 ' CE2' ' A' ' 101' ' ' PHE . 7.5 p -151.25 135.44 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' HD23 ' A' ' 110' ' ' LEU . 13.9 p -125.43 -168.29 1.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 49' ' ' LEU . . . 73.06 50.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.649 HD11 ' CE1' ' A' ' 101' ' ' PHE . 3.0 tp -70.25 172.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.87 162.0 23.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.31 45.25 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.533 ' CG2' HD12 ' A' ' 52' ' ' LEU . 1.4 t -158.55 -35.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.507 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -80.37 -3.89 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.573 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -83.56 -16.51 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.573 ' CD1' ' NH1' ' A' ' 88' ' ' ARG . 17.3 mt -73.78 -42.36 61.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 13.3 m-85 -87.26 -18.71 29.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -34.26 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.91 -40.89 19.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -33.47 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.7 -1.85 60.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.7 tp -90.72 10.72 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.02 -32.88 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -62.62 -21.77 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.753 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.57 -9.86 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.695 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -115.3 -14.51 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER 32.49 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.3 t80 -111.49 170.38 8.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -143.61 -145.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.2 mt-30 -148.51 88.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.761 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.4 t 48.9 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -35.06 -30.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.598 ' CD ' ' CG1' ' A' ' 78' ' ' VAL . 6.8 tt0 -66.42 -6.08 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 104' ' ' SER . 43.6 tp60 -35.95 -29.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.85 -47.83 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -60.97 -29.12 69.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.656 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 7.3 tp -49.54 -43.0 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.724 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -59.84 -0.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.729 ' CD2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.27 18.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.436 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 49.0 20.16 1.79 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.518 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 2.7 t -150.05 78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.45 0.736 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.805 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 9.4 tp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -106.1 -151.98 19.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.531 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 176.46 135.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.531 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -144.33 144.14 31.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.623 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 25.2 mtm -137.39 134.53 36.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -139.71 165.87 26.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -131.71 144.02 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.86 104.66 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 tt0 63.36 -26.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.725 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.86 -5.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.638 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.6 p -86.3 126.42 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.665 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.4 102.76 14.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.651 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -75.2 134.08 41.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -123.39 91.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 103.84 15.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD1' HD21 ' A' ' 29' ' ' LEU . 22.8 mt -96.87 130.81 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.833 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.21 114.27 16.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.17 -120.2 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.5 OUTLIER -124.18 159.56 29.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.624 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -117.93 93.11 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.3 p30 -148.64 169.03 21.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.56 -28.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' ASP . 7.8 m80 -74.81 -57.23 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 17.6 p -77.82 -14.96 59.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.72 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.16 -15.03 61.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -69.58 -44.97 69.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.477 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -45.34 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.88 -27.23 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.33 -42.77 96.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.741 ' O ' HG21 ' A' ' 34' ' ' THR . 17.7 pt20 -78.74 -22.67 46.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 23.7 tptt -72.24 -24.76 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 18.1 t -64.27 -59.51 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.741 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -45.76 -31.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.644 HE21 ' N ' ' A' ' 35' ' ' GLN . 5.9 mm-40 -68.58 -44.4 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -76.4 -23.46 54.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -48.69 -35.51 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -164.27 75.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -71.77 -48.55 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.7 m-20 168.05 -93.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.25 -114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 5.2 mm -147.38 80.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -77.86 -168.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.698 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 36.4 m-70 -131.23 159.5 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.701 ' C ' ' CD1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -101.45 158.23 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.794 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -159.02 85.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' HD22 ' A' ' 110' ' ' LEU . 3.6 mm? -83.85 151.55 25.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -179.43 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.61 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -21.3 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.7 t0 -106.63 67.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.609 HD22 ' CB ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -93.26 124.51 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.481 ' O ' ' HE2' ' A' ' 55' ' ' MET . 2.0 t -134.84 -88.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 1.4 t80 -62.88 -60.71 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.967 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.15 94.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 8.3 t70 -113.74 171.2 7.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 56' ' ' ASP . 9.6 p -69.79 -2.35 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.49 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.5 m -56.55 -40.17 74.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.505 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -92.58 -7.99 62.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.45 -43.3 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.07 -34.55 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -24.43 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 0.814 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -34.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 HD23 ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.41 -39.95 85.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.2 -22.77 44.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.579 1.174 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -87.64 -51.35 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.687 ' CE2' ' HA ' ' A' ' 99' ' ' ILE . 1.7 t80 -40.79 -37.65 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -37.2 36.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' CG ' HD21 ' A' ' 112' ' ' LEU . 5.6 mm-40 -141.96 148.36 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.69 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -116.3 124.9 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.617 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 67.8 t -132.63 144.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 101' ' ' PHE . 8.5 p -145.39 133.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.434 ' SG ' ' HG ' ' A' ' 110' ' ' LEU . 26.6 p -136.18 -170.04 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 74.11 47.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.698 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 3.4 tp -90.55 -150.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.544 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 179.22 169.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.892 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.59 12.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -132.02 23.83 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 HD22 ' A' ' 52' ' ' LEU . 8.6 t -136.02 -37.23 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -72.28 -10.4 59.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.468 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -69.02 -28.07 66.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.5 -46.18 84.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.705 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 31.9 m-85 -86.45 -26.86 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -33.96 74.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 20.8 ttt -81.17 -33.44 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -49.07 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.66 47.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.528 ' CD2' ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.45 11.56 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 0.0 109.327 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -45.64 -26.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -22.61 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.659 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -88.18 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.687 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.5 mm -114.8 -17.15 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 14.4 ttm-85 30.09 89.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -142.78 -146.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.852 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.5 mt-30 -154.54 95.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 107' ' ' GLN . 15.5 t 49.99 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.852 ' N ' ' O ' ' A' ' 103' ' ' GLN . 4.0 tt0 -34.7 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.1 tt0 -62.12 -12.66 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.72 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -34.24 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.71 -56.29 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.448 ' CD2' ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -64.84 -12.17 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -62.78 -38.14 89.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.692 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -57.84 -6.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 110.46 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.698 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 106.48 23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.557 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 42.82 52.58 5.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 112' ' ' LEU . 1.0 OUTLIER 176.27 81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.353 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.635 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 2.4 tp . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -103.72 -176.45 25.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 179.47 131.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.644 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 t70 -134.86 171.24 14.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.694 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mtm -155.46 132.94 11.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.83 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.46 166.98 23.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.509 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -131.75 142.82 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.702 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.63 103.79 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.0 tt0 63.98 -28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.61 -2.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.626 ' HA ' ' O ' ' A' ' 44' ' ' HIS . 7.5 p -93.97 120.0 42.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.83 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -92.54 107.18 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.7 OUTLIER -74.66 137.85 42.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -126.96 96.58 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.359 1.037 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.644 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -98.39 110.82 23.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.74 138.11 52.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.747 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.4 p -129.18 114.57 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 165.63 -118.43 0.8 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.458 1.098 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.05 162.56 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 0.802 . . . . 0.0 110.301 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.551 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -119.22 84.59 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.16 170.3 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' CB ' ' A' ' 58' ' ' SER . 3.1 p80 -45.53 -27.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.5 -50.41 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.4 p -79.49 -28.42 41.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.21 -17.83 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -68.21 -46.81 69.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 110.223 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.79 -48.57 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' VAL . 5.2 tp -65.77 -29.57 70.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.6 -43.55 12.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.593 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 39.2 tptt -66.74 -12.29 58.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.648 ' O ' ' N ' ' A' ' 37' ' ' LEU . 37.4 t -77.51 -55.55 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -50.46 -39.77 48.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.569 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 10.0 mt-30 -65.65 -49.05 70.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -24.42 54.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -50.46 -36.04 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 33.4 mt-10 -160.37 73.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.2 ptpt -72.87 -40.82 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.598 1.186 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 152.1 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -77.22 -139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -133.75 85.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.605 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.08 -168.08 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.64 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 54.8 m-70 -127.93 159.7 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.716 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.09 161.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.813 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -158.22 86.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' HE2' ' A' ' 77' ' ' MET . 12.8 mt -85.7 154.99 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.43 108.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -111.91 127.4 55.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -22.1 13.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 32.5 t0 -104.74 67.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -96.57 125.68 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.416 ' O ' ' HE2' ' A' ' 55' ' ' MET . 6.1 t -139.67 -86.12 0.22 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 80.1 t80 -54.28 -70.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.924 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 35.48 91.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -112.64 -151.18 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.0 t -95.89 29.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.47 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -87.57 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.43 -16.27 69.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -44.94 61.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.373 0.69 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.86 -34.87 32.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -21.53 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.726 . . . . 0.0 109.227 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mt -98.44 -38.14 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -63.45 -50.18 70.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -25.39 71.89 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' CD ' HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -84.29 -43.01 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -39.68 -44.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -70.82 -41.0 72.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.605 ' C ' HD22 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -148.62 150.27 32.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.716 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.23 131.14 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -121.11 157.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.233 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.678 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 12.6 p -163.3 124.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 47' ' ' LEU . 3.4 p -125.51 -170.68 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.53 34.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.622 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -59.75 179.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.08 159.0 24.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.89 6.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -136.77 26.23 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' CG2' ' SD ' ' A' ' 55' ' ' MET . 13.9 t -134.31 -39.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 52.5 pttt -71.79 -10.48 59.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.69 -25.85 64.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.99 -45.52 73.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 60' ' ' LEU . 44.1 m-85 -82.52 -19.42 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -35.78 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 mtt -88.92 -27.09 21.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.913 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.07 21.0 67.55 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.557 ' CD2' ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.81 12.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -42.08 -30.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -22.38 65.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.7 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.65 -8.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.681 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 31.6 mm -114.91 -15.75 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 30.79 88.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -111.9 166.87 10.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -135.19 -146.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.904 ' O ' ' N ' ' A' ' 105' ' ' GLU . 29.6 mt-30 -154.64 96.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.745 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.1 t 46.64 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.904 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.4 tt0 -34.17 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.0 tt0 -61.71 -11.26 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.1 pt20 -35.08 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.193 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -93.12 -51.26 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.483 HD21 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.1 -15.11 62.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.668 ' O ' HG13 ' A' ' 78' ' ' VAL . 9.0 tp -55.31 -37.01 66.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.626 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -57.09 -4.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER 94.67 28.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.483 ' CA ' HD21 ' A' ' 109' ' ' LEU . . . 40.38 25.67 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.604 ' CG1' ' NE2' ' A' ' 44' ' ' HIS . 92.8 t -128.72 61.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.765 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.83 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -96.46 -163.17 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -179.88 132.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.546 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -143.54 145.76 32.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.2 mtt -139.12 135.08 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.31 163.57 32.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -127.78 141.37 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.54 104.73 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.6 tt0 63.14 -26.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 159.77 -2.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.64 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.8 p -89.32 124.96 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.05 100.71 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.635 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.3 m -74.25 138.09 43.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -129.33 102.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -99.27 100.38 11.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.24 129.36 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.83 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -128.06 115.43 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.765 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.14 -119.64 1.02 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -122.35 158.17 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -125.4 84.84 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -136.19 167.64 20.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.88 -26.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.2 m80 -77.73 -53.05 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.573 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -78.91 -21.34 47.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.41 -17.84 61.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -70.06 -45.76 66.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -47.12 -47.13 23.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -67.84 -28.08 67.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.78 -40.96 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.547 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.33 -33.28 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.3 tptt -65.83 -13.1 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.54 ' CG2' ' HG3' ' A' ' 66' ' ' ARG . 12.1 t -72.31 -56.55 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.547 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.83 -38.24 61.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.553 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 12.0 mt-30 -64.56 -47.46 78.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -26.55 56.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.22 -37.58 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 28.4 mt-10 -161.67 75.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 9.5 ttpt -69.1 -46.96 66.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 167.11 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -77.32 -139.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.598 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.1 83.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.52 -166.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.754 ' O ' ' N ' ' A' ' 13' ' ' LEU . 47.4 m-70 -130.8 160.54 34.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -102.83 157.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.788 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -159.23 87.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' CD2' ' HE3' ' A' ' 77' ' ' MET . 0.1 OUTLIER -83.24 154.06 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.84 109.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.26 123.62 44.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -23.39 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 56.9 t0 -122.2 63.33 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -84.64 99.64 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.0 t -103.19 -88.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.8 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.87 ' HE2' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.84 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.538 ' N ' ' HE1' ' A' ' 55' ' ' MET . 13.0 t0 -109.55 -144.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.98 6.09 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.439 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -62.98 -55.11 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.59 0.5 85.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -43.21 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.87 -35.99 26.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -21.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.11 -37.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -67.29 -47.37 70.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.5 -14.06 64.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.54 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.78 -38.82 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 3.8 t80 -45.87 -48.65 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.81 -36.66 56.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.492 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.417 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 112' ' ' LEU . 5.9 mm-40 -139.89 148.13 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.744 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.84 125.04 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.659 ' H ' ' CG1' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -119.79 161.28 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.624 HG11 ' CD2' ' A' ' 101' ' ' PHE . 10.2 p -171.2 119.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.381 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 21.6 p -123.77 -165.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 80' ' ' CYS . . . 74.41 37.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 101' ' ' PHE . 3.5 tp -59.72 171.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.449 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -152.39 153.22 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -10.57 21.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.68 34.12 4.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG23 ' CG ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -149.01 -36.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' HB3' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.94 -12.17 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -21.4 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 56' ' ' ASP . 11.5 mt -68.79 -45.34 71.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.628 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 21.8 m-85 -84.04 -19.3 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -35.68 65.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 ttt -88.51 -29.62 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -67.13 -35.95 80.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.49 0.32 72.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.7 tp -99.71 10.91 40.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.628 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.08 -34.19 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -63.0 -21.47 66.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.734 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.92 -17.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.371 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.659 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 19.0 mm -111.33 -12.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.494 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 31.57 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.624 ' CD2' HG11 ' A' ' 79' ' ' VAL . 1.3 t80 -102.45 168.88 9.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -136.64 -148.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.9 ' O ' ' N ' ' A' ' 105' ' ' GLU . 25.8 mt-30 -145.73 85.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.756 ' O ' ' N ' ' A' ' 107' ' ' GLN . 34.0 t 48.69 -62.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.9 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.6 OUTLIER -33.76 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.7 tt0 -63.7 -8.76 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.756 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 pp0? -35.65 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.4 -48.78 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -63.35 -21.74 66.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 112' ' ' LEU . 22.0 mt -47.46 -45.55 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.9 OUTLIER -58.19 -0.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.495 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 101.43 17.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 51.71 18.42 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 2.7 t -149.27 79.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.542 ' HB1' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.856 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 21.6 tp . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.842 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -107.65 -142.96 10.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.671 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 169.05 139.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.483 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -152.62 141.0 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -137.36 139.18 40.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.51 157.09 44.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.7 147.63 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.683 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -156.3 106.85 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.609 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 64.88 -27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.683 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 158.52 -5.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.627 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.5 p -85.61 123.98 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.629 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.27 101.28 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.7 OUTLIER -73.61 130.88 40.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.299 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.4 mp -121.69 97.11 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.179 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -94.4 105.88 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -100.27 129.35 46.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.842 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.76 113.83 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.856 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 157.18 -118.46 0.84 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.47 161.55 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.593 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -118.84 82.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.595 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 7.9 p30 -142.18 175.32 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' N ' ' CB ' ' A' ' 58' ' ' SER . 4.0 p80 -47.11 -26.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -72.67 -53.13 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 3.4 p -79.38 -29.27 42.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.8 -16.07 63.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -72.23 -51.15 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.411 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -45.61 -47.25 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD12 ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -67.98 -29.23 68.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.75 -42.54 25.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.21 -29.28 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 10.1 tptt -67.87 -8.79 39.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.541 ' CG2' HD12 ' A' ' 29' ' ' LEU . 15.4 t -83.68 -51.81 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.544 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -54.8 -42.09 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -58.81 -43.22 90.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.71 -25.18 49.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -34.14 24.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.404 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -162.63 73.73 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.1 ttpt -71.51 -47.22 56.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.1 m-20 165.33 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.6 t70 -78.56 -115.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 2.5 mm -148.69 82.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -78.54 -166.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.735 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 48.0 m-70 -130.93 159.03 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.68 ' C ' ' CD1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.39 157.71 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.83 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -158.62 84.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -82.6 155.87 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 1.2 p30 -178.19 110.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 ' CA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -105.89 126.03 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.39 -22.71 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.657 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 27.5 t0 -105.1 67.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.565 HD22 ' CB ' ' A' ' 55' ' ' MET . 1.2 tm? -92.09 124.32 36.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.458 ' O ' ' HE2' ' A' ' 55' ' ' MET . 6.5 t -135.22 -88.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 0.8 OUTLIER -62.9 -62.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.975 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.8 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.05 -168.21 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.0 p -89.07 13.17 13.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.593 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -68.15 -47.64 67.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.538 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -86.95 -8.48 75.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.75 -42.99 58.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.03 -34.3 27.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.449 HG11 ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.92 -23.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -35.04 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.509 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -71.14 -40.37 71.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -23.34 68.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.604 ' O ' ' N ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -86.5 -50.12 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.2 t80 -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -29.86 59.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 112' ' ' LEU . 10.9 mm-40 -142.15 146.62 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.713 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -117.84 122.3 43.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.645 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 22.0 t -128.61 148.2 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 101' ' ' PHE . 5.1 p -147.12 134.6 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.599 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 8.0 p -124.05 -165.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 80' ' ' CYS . . . 74.96 56.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 101' ' ' PHE . 1.1 tp -83.83 176.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.76 156.13 11.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.03 9.46 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -135.24 24.26 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' CE ' ' A' ' 55' ' ' MET . 9.1 t -135.09 -38.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.53 -14.2 62.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.231 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.36 -26.24 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.58 -44.3 91.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 24.7 m-85 -87.65 -21.31 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -34.88 68.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.4 ttm -83.83 -34.47 24.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -66.18 -35.05 79.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.62 8.35 86.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -106.72 10.01 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.1 -33.61 12.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -63.12 -22.44 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.735 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.41 -13.6 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.673 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.4 mm -115.07 -12.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 2.2 ttt85 31.57 83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.8 t80 -101.81 172.96 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.25 -142.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.883 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -153.41 91.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' ' 107' ' ' GLN . 14.3 t 48.38 -65.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.919 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.3 tt0 -34.22 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 109' ' ' LEU . 3.2 tt0 -64.64 -8.93 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 104' ' ' SER . 20.7 tt0 -38.11 -29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.87 -40.18 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -66.85 -29.13 68.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.645 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 99.3 mt -47.99 -43.19 29.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.725 ' O ' ' CD2' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -56.96 -3.38 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.477 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.735 ' CD2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.9 20.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 109' ' ' LEU . . . 69.7 1.23 29.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.548 ' CG1' ' H ' ' A' ' 115' ' ' ALA . 5.1 t -123.81 -138.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.548 ' H ' ' CG1' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.735 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.791 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.47 -151.65 21.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.598 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 171.48 141.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -154.21 143.97 21.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.0 mtm -135.4 143.38 45.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.368 1.042 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.906 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.82 169.97 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -136.78 142.97 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.71 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -149.57 104.07 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.7 tt0 63.17 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.41 -3.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' A' ' 44' ' ' HIS . 7.9 p -95.19 119.05 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.906 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.96 109.65 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.6 OUTLIER -75.47 127.5 33.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.2 mp -113.46 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -89.5 109.83 20.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 3' ' ' GLY . 0.4 OUTLIER -113.46 134.48 54.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -124.72 114.85 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.735 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 159.88 -121.82 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.6 mt-10 -123.7 159.79 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB3' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -118.83 94.39 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.566 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -139.86 172.85 12.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.692 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -57.53 -15.57 7.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.692 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 57.7 m-70 -97.31 -38.58 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -82.72 -31.11 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -70.32 -32.99 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -54.96 -51.7 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.406 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -44.27 -47.55 9.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.9 tp -68.05 -30.34 69.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -44.87 -44.09 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.558 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.18 -32.29 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 3.9 tptt -70.78 -17.36 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 2.6 t -86.82 -47.04 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.558 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 9.1 t -43.91 -31.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 14.2 mt-30 -68.02 -46.49 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -25.09 41.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -54.43 -32.96 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -161.09 68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 5.2 ptmt -73.28 -47.43 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.3 m-20 175.66 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -75.88 -116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.56 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -146.68 87.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -84.24 -167.15 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.66 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 41.5 m-70 -126.59 157.56 38.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.815 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.18 161.24 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.859 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -158.61 84.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.62 153.65 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 2.1 p30 -179.36 108.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.28 116.47 31.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 -20.78 26.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.8 t0 -103.55 66.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.6 ' CD2' ' CB ' ' A' ' 55' ' ' MET . 3.3 tm? -86.88 109.03 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -112.34 -86.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CD2' ' CG ' ' A' ' 22' ' ' ASP . 60.7 t80 -69.99 -78.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.85 ' HE2' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 46.85 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.566 ' O ' ' HE1' ' A' ' 55' ' ' MET . 10.1 t0 -117.32 -151.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -91.19 28.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.57 -38.41 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.09 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -103.27 -10.91 35.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.54 -55.07 14.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.29 -31.3 69.35 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.437 HG21 ' CE ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -68.15 -21.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.4 -37.89 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 1.8 tt -72.22 -37.46 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.25 -12.11 65.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.494 ' CD ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.24 -41.79 8.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' ' CG ' ' A' ' 77' ' ' MET . 1.8 t80 -44.96 -42.66 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.56 -27.2 58.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.248 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -158.32 158.05 33.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 0.719 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.815 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.3 ppp? -120.32 133.68 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.674 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 65.5 t -127.2 135.51 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 101' ' ' PHE . 3.0 p -133.08 128.47 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 110' ' ' LEU . 31.3 p -131.18 -170.45 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 74.18 30.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.623 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 5.3 tp -59.32 -147.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.541 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.63 165.53 0.89 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 18.3 Cg_endo -75.02 -8.13 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.76 29.98 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 52' ' ' LEU . 1.7 t -142.07 -37.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -70.32 -13.75 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -26.23 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -60.66 -46.84 88.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.8 m-85 -84.61 -22.68 29.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -34.0 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 mtp -76.51 -42.08 44.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -49.6 65.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.92 -6.06 59.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.15 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.538 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.0 tp -87.04 9.19 20.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.48 -33.33 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -22.63 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.649 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.87 -9.63 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.612 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 46.3 mm -116.39 -14.05 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 30.47 87.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE1' ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -103.94 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -151.24 -146.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.858 ' O ' ' N ' ' A' ' 105' ' ' GLU . 91.0 mt-30 -157.0 95.35 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.769 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.9 t 50.76 -63.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.858 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.9 tt0 -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.553 ' O ' ' N ' ' A' ' 108' ' ' ALA . 3.7 tt0 -66.59 -7.44 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -34.6 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.44 -51.41 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -64.19 -21.57 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.545 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.56 -42.19 64.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.688 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -57.12 -4.74 0.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.688 ' HB3' ' O ' ' A' ' 111' ' ' THR . 1.3 tt 97.93 26.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.1 17.02 50.82 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.567 ' CG2' ' CD2' ' A' ' 112' ' ' LEU . 2.3 t -112.23 -144.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.807 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.853 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -100.01 -157.25 28.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.557 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 178.74 130.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -142.0 141.13 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.548 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -137.69 134.82 35.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.596 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.38 166.36 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.652 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -132.67 143.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.719 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.89 104.92 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 63.28 -28.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.719 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.35 -3.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 8.1 p -88.27 122.47 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.212 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.739 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.63 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.588 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.58 144.86 47.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mm -134.67 90.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -92.03 106.55 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.27 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 3' ' ' GLY . 0.2 OUTLIER -103.46 127.33 50.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.72 113.87 17.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.807 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.66 -116.66 0.74 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.7 161.19 24.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.734 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.592 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -118.63 91.9 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.54 170.68 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -74.29 -49.42 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.2 p -81.77 -30.51 32.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -62.4 -14.2 37.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.99 -47.81 67.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.519 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -42.79 -43.67 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.35 -30.5 60.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tptt -51.11 -47.14 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.775 ' O ' HG21 ' A' ' 34' ' ' THR . 11.8 pt20 -67.92 -33.36 74.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 42.1 tptt -68.34 -14.46 63.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 29' ' ' LEU . 41.6 t -63.99 -62.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.775 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -49.33 -39.79 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.567 ' NE2' ' CG2' ' A' ' 34' ' ' THR . 12.9 mm-40 -62.58 -46.09 89.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -25.57 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 mt -47.91 -41.32 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.28 78.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.23 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.19 -47.23 62.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 8.1 m-20 176.5 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 39.4 t0 -79.16 -107.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.9 mm -151.63 87.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.599 ' CB ' ' O ' ' A' ' 11' ' ' SER . 1.8 mtm-85 -81.14 -166.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.739 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.7 m-70 -130.99 159.83 36.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.6 159.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.886 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -157.91 82.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 110' ' ' LEU . 1.2 mp -82.58 154.08 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.521 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.4 t30 -177.7 107.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.06 121.82 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -22.62 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.711 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.4 t0 -104.03 65.93 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -93.62 126.75 38.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.415 ' O ' ' HE2' ' A' ' 55' ' ' MET . 5.4 t -137.31 -88.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.548 ' O ' ' HE2' ' A' ' 55' ' ' MET . 0.7 OUTLIER -60.27 -65.66 0.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.944 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.876 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 40.04 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' CE1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -104.24 -159.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -97.01 22.51 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.592 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 1.3 m -77.82 -59.06 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -73.92 -18.51 79.64 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.587 1.179 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.52 -44.04 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.47 -32.62 30.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.497 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.78 -21.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.231 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.94 -35.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.587 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -71.17 -45.8 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' HA3' ' NH2' ' A' ' 66' ' ' ARG . . . -64.2 -14.98 58.04 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.735 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -100.04 -44.69 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.704 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -42.01 -35.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.531 ' CD ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -77.09 -37.72 53.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -149.99 150.97 32.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.663 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.75 126.33 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 59.2 t -131.38 130.91 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.583 HG21 ' CE2' ' A' ' 101' ' ' PHE . 7.6 p -138.0 134.63 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 26.6 p -125.83 -167.18 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.69 48.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 101' ' ' PHE . 3.7 tp -73.36 170.43 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.48 156.72 30.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -0.78 10.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -134.74 29.29 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 HD22 ' A' ' 52' ' ' LEU . 8.3 t -142.22 -38.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.61 -10.94 60.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -70.96 -15.69 62.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.2 mt -74.33 -45.27 48.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.644 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 39.3 m-85 -85.06 -20.39 30.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -34.66 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 mtp -89.78 -27.82 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -66.72 -26.87 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.39 15.7 59.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.554 ' CD2' ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.2 11.57 10.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -44.64 -27.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -63.11 -23.41 67.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.704 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -85.34 -5.94 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.659 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 36.7 mm -114.63 -15.77 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.62 81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 79' ' ' VAL . 1.4 t80 -105.68 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -137.81 -147.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 13.1 mt-30 -150.34 90.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 32.5 t 47.34 -65.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -33.18 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.2 tt0 -61.61 -10.68 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.5 pt20 -34.18 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.11 -51.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -62.14 -20.62 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -48.89 -44.13 39.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.628 1.205 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -54.83 -5.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.698 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.2 tt 96.29 28.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.72 27.05 0.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 6.7 t -136.88 70.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.825 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 2.2 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.817 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -110.59 -152.57 13.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 176.19 135.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.546 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -145.51 141.59 28.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 88.6 mtp -135.09 137.94 43.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -143.71 151.98 40.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -122.68 136.01 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.703 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -141.42 106.06 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.574 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.0 tt0 64.02 -27.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.703 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.27 -5.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.631 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 11.3 p -86.12 122.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.608 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.49 101.52 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.36 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.665 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -76.08 129.55 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.5 mp -120.79 97.25 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -92.38 100.0 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 29' ' ' LEU . 1.2 mm? -92.87 129.42 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.817 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -127.75 113.78 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.5 -118.56 0.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -124.34 163.89 20.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.617 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -125.47 86.05 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -132.35 171.28 13.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.685 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.6 p80 -53.85 -16.94 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.685 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 56.4 m-70 -96.1 -40.85 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -83.69 -18.25 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.0 -34.97 64.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -45.04 -50.03 11.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.02 -44.11 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.519 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.04 -29.77 60.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.53 -46.44 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.233 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.545 ' O ' ' CG2' ' A' ' 34' ' ' THR . 13.2 pt20 -71.5 -35.04 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 11.5 tptt -72.24 -11.75 60.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 79.0 t -86.16 -52.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -47.47 -37.25 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.1 pp0? -56.73 -36.91 70.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -78.43 -30.14 47.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -45.18 -36.84 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 24.0 mt-10 -162.74 75.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.19 -49.37 44.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.7 m-20 161.44 -90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 23.5 t70 -77.06 -114.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.8 mm -150.11 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' SER . 2.0 mpt_? -80.56 -165.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.629 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 44.2 m-70 -134.43 159.0 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.714 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.27 160.0 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.851 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -157.68 81.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.387 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 HD22 ' CE ' ' A' ' 77' ' ' MET . 1.5 mm? -80.68 153.13 28.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -179.91 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.72 120.06 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -22.3 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 17.1 t70 -117.72 64.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.626 ' CD1' ' HB3' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.32 114.67 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.1 t -125.75 -93.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.897 ' O ' ' HE1' ' A' ' 55' ' ' MET . 58.0 t80 -47.74 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.897 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 36.59 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.944 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 p -91.09 28.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.454 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.9 m -98.6 -23.39 15.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -128.15 -2.05 6.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -51.33 -48.72 62.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.16 -42.21 81.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -21.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.793 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.1 mm -78.44 -35.53 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 98' ' ' ILE . 1.1 tp -76.48 -15.83 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.44 -26.72 56.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.86 -32.84 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.217 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 4.6 t80 -62.83 -46.89 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.39 0.88 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.457 ' CG ' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -154.21 153.26 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.686 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 6.7 tpt -113.34 128.74 56.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.58 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 44.4 t -128.09 149.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 2.2 t -151.86 139.6 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.607 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 19.2 p -146.63 -168.87 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 80' ' ' CYS . . . 81.07 23.61 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.663 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 tp -70.03 -167.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -163.03 174.06 3.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.2 Cg_endo -75.0 -10.74 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.438 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -127.5 22.26 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.572 ' CG2' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -136.03 -35.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 96' ' ' PHE . 17.9 ttpt -71.87 -14.61 62.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.39 -26.28 67.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.58 -45.96 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.692 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 32.8 m-85 -87.23 -27.09 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -33.7 74.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.085 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.1 ttm -82.56 -35.54 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -54.79 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.01 65.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 HD13 ' CG2' ' A' ' 98' ' ' ILE . 6.9 tp -84.59 12.48 6.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 0.756 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.692 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.37 -22.55 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -63.47 -26.65 68.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.798 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -99.26 11.72 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.491 ' O ' ' C ' ' A' ' 100' ' ' ARG . 7.4 mm -124.93 -18.71 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.491 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER 31.24 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.663 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -111.26 171.64 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.463 ' HB3' ' HB3' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.69 -147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.892 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.6 mt-30 -149.08 88.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.826 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.2 t 48.2 -62.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.892 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.1 tt0 -33.82 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 108' ' ' ALA . 9.3 tt0 -68.42 -5.66 20.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 104' ' ' SER . 28.7 tt0 -32.61 -31.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.94 -51.63 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.9 OUTLIER -65.13 -18.7 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -56.45 -37.5 70.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.691 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -56.2 -5.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.691 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.6 tt 98.16 26.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.438 ' CA ' HD21 ' A' ' 109' ' ' LEU . . . 42.42 26.63 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.551 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 38.3 t -142.39 68.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.694 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.823 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -86.0 -157.83 29.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 177.95 133.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.537 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -149.15 141.63 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -136.46 138.62 41.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.743 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -143.44 142.2 31.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -111.4 136.61 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.694 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -139.87 104.09 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.588 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.5 tt0 64.03 -29.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.694 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 163.95 -3.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.639 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.4 p -88.25 119.37 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' CD1' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -92.6 97.73 10.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.743 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -69.86 139.6 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.35 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -129.02 102.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -102.22 99.64 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' A' ' 4' ' ' ILE . 6.2 mt -100.04 131.21 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.823 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -128.05 115.46 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.383 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.694 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.65 -119.59 0.92 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -123.04 157.91 31.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -160.57 170.87 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -44.03 -26.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.534 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ASP . 9.5 m80 -75.11 -55.36 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.551 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -79.61 -29.01 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -69.11 -14.77 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -76.2 -49.99 15.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -48.63 -44.48 37.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.518 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 2.5 tm? -71.45 -25.66 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.94 -44.1 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -76.11 -33.85 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 2.6 tptt -69.98 -8.15 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 81.0 t -85.62 -51.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.49 -40.08 65.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 2.8 pp0? -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.69 -24.27 45.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.955 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -50.49 -36.08 32.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.388 1.055 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 40.1 mt-10 -161.66 73.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.79 -45.55 61.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.6 m-20 177.25 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.75 -143.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.659 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -109.99 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.49 -166.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.648 ' CE1' HD23 ' A' ' 112' ' ' LEU . 26.6 m-70 -133.17 156.82 46.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 0.0 109.67 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.871 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.24 155.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.836 ' CG2' ' HA ' ' A' ' 111' ' ' THR . 1.4 t -158.94 85.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -82.69 152.74 25.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' CG ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -175.12 107.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -105.67 123.02 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -21.96 17.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 44.1 t0 -120.86 66.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.528 HD13 ' CB ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -99.42 104.66 16.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.9 t -124.3 -87.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.769 ' O ' ' HE1' ' A' ' 55' ' ' MET . 1.0 OUTLIER -46.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.769 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 35.43 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -94.08 -154.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 p -92.76 17.91 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.572 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -81.63 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.503 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -72.96 -16.98 78.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.643 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.77 -44.12 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.44 -32.45 34.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.29 -24.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -89.28 -35.62 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 98' ' ' ILE . 2.4 tp -67.27 -43.2 82.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 69' ' ' GLN . . . -56.46 -21.16 33.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' CG ' HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -90.66 -47.36 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 0.795 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.776 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 3.1 t80 -40.92 -26.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 6.7 mmmt -108.96 -25.45 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.511 ' CG ' ' CD1' ' A' ' 37' ' ' LEU . 3.0 tp-100 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.541 ' O ' HD13 ' A' ' 112' ' ' LEU . 2.3 mm-40 -151.99 151.43 31.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 0.712 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.871 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.58 120.34 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.682 ' H ' ' CG1' ' A' ' 45' ' ' ILE . 57.7 t -128.3 149.06 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.707 ' CG2' ' CE2' ' A' ' 101' ' ' PHE . 2.2 p -145.36 138.33 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 47' ' ' LEU . 27.6 p -128.3 -174.15 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 67.6 80.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 101' ' ' PHE . 5.9 tp -112.66 169.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 162.86 25.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -0.98 10.62 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -131.25 33.89 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 52' ' ' LEU . 3.1 t -147.45 -36.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -78.74 -4.68 50.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.521 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -79.06 -17.57 55.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.521 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -69.7 -45.58 67.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.694 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 26.6 m-85 -82.81 -22.67 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.89 78.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.2 ttp -82.63 -31.94 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -67.53 -56.36 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.68 54.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.507 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 7.5 tp -88.91 12.84 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 0.733 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -54.39 -24.24 18.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -26.73 68.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.776 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -99.48 12.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 100' ' ' ARG . 9.2 mm -125.15 -23.95 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.593 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 21.86 83.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.707 ' CE2' ' CG2' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.08 -177.34 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.616 ' O ' ' CD ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER 72.39 134.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.616 ' CD ' ' O ' ' A' ' 102' ' ' GLU . 13.6 mm-40 -161.23 -52.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t 50.16 -85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 103' ' ' GLN . 12.8 tt0 -74.47 -25.42 59.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' ALA . 8.2 tt0 -74.08 -6.24 46.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLN . 11.0 pt20 -35.44 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.25 -57.5 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.43 HD21 ' CA ' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -59.15 -15.35 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 1.19 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.613 ' CD1' HG13 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -63.6 -26.43 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.836 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -56.79 -5.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.426 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.648 HD23 ' CE1' ' A' ' 44' ' ' HIS . 9.2 tt 98.98 26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.43 ' CA ' HD21 ' A' ' 109' ' ' LEU . . . 45.57 29.76 2.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 20.9 t -126.88 67.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.771 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.891 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -118.16 -173.42 16.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.604 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -177.29 131.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.604 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -142.58 141.56 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.3 mtt -133.75 134.21 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.43 161.93 35.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.678 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -128.58 135.83 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.717 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -138.28 105.47 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.4 tt0 63.19 -28.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 163.36 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 9.3 p -88.0 126.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.3 100.66 12.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -72.82 139.82 47.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.5 mp -130.58 97.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -95.77 102.51 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.209 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' A' ' 28' ' ' THR . 0.4 OUTLIER -100.77 130.41 46.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.891 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -130.12 112.56 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.771 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 152.59 -114.0 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.32 159.14 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.28 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.68 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -122.09 82.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.646 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -136.27 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.761 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -51.49 -18.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.65 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.761 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.7 m-70 -87.06 -46.17 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.654 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 3.7 p -79.56 -34.45 40.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -58.52 -26.57 63.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.81 -52.75 38.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.493 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -45.5 -42.83 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.41 -30.11 64.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.94 -46.64 68.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.549 ' O ' ' CG2' ' A' ' 34' ' ' THR . 16.6 pt20 -73.21 -34.24 65.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.261 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 23.1 tptt -67.99 -9.56 46.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 57.9 t -83.63 -51.0 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.549 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -55.2 -41.94 72.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -59.64 -43.67 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.08 -23.13 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.45 -32.27 26.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -160.61 74.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' CE ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.8 -41.31 68.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.566 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 2.6 m-20 156.24 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 16.6 t70 -83.72 -107.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.562 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 1.1 mm -147.01 125.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -116.3 -167.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.731 ' N ' ' O ' ' A' ' 11' ' ' SER . 32.4 m-70 -133.83 159.76 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.696 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -99.3 155.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.82 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -158.66 84.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' H ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.79 153.5 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 1.7 p30 -179.4 102.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -103.21 126.15 50.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.76 -22.71 15.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.244 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 62.8 t0 -122.4 66.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -95.78 111.22 23.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -125.2 -93.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.846 ' O ' ' HE1' ' A' ' 55' ' ' MET . 48.4 t80 -41.4 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.846 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 34.3 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.92 -152.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -95.17 29.55 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.45 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -92.1 -50.5 5.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.402 1.064 . . . . 0.0 109.984 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -98.46 -9.44 53.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -50.64 -44.27 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.22 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.05 -35.05 45.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -23.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -89.09 -34.58 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.635 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -67.21 -45.25 77.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.04 -21.69 39.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 69' ' ' GLN . 1.6 ttp85 -88.91 -50.2 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 0.781 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.739 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -39.33 -32.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -87.31 -40.43 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.6 tp60 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 16.6 mm-40 -125.65 151.41 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.566 ' CB ' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -106.16 126.48 52.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.634 ' HB ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -126.8 157.57 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.658 HG11 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -174.23 119.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 30.0 p -119.95 -166.69 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 69.91 51.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 101' ' ' PHE . 5.4 tp -79.68 169.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.91 154.06 25.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.98 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.31 27.27 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' CG2' ' SD ' ' A' ' 55' ' ' MET . 3.0 t -141.29 -35.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 4.4 pttt -70.99 -12.79 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -24.07 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' MET . 1.2 mt -65.76 -45.42 82.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 46.2 m-85 -85.4 -19.79 30.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.21 -34.52 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -36.49 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -66.04 -25.38 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.79 5.86 40.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.595 1.184 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.513 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.6 tp -103.83 10.85 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -46.66 -33.15 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.28 -22.49 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.739 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.99 -7.83 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.676 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 31.1 mm -114.91 -16.77 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.35 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.658 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -103.42 168.88 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -134.81 -145.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.933 ' O ' ' N ' ' A' ' 105' ' ' GLU . 78.8 mt-30 -148.2 86.61 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.8 t 46.6 -63.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -33.59 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.8 tt0 -61.57 -11.93 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.4 pt20 -33.43 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.88 -53.23 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -59.45 -23.29 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.573 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 18.4 mt -44.23 -44.7 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.73 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.45 -10.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.408 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.747 HD11 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.11 23.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.537 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 44.17 52.76 6.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.046 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.605 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.9 OUTLIER 173.85 88.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.679 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 2.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -98.91 -163.47 29.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.491 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER 176.49 138.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -150.95 142.01 23.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 41.0 mtp -129.54 134.87 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -141.06 141.63 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -112.63 138.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.715 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -142.76 104.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.6 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.47 -25.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.715 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.52 -5.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.037 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.631 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.3 p -85.34 123.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 98.21 10.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.8 OUTLIER -73.71 129.8 38.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.3 mp -119.01 95.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -101.25 106.19 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD13 ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -118.98 136.61 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -122.01 118.81 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 164.86 -127.12 1.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -121.08 155.29 34.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 0.724 . . . . 0.0 110.239 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 13.1 mt -111.96 90.32 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -144.1 166.9 23.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.443 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.8 p80 -43.02 -28.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -74.11 -52.92 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.66 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.608 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 1.3 p -79.75 -29.19 40.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.11 -19.0 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -71.1 -46.83 61.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 79.6 m -49.4 -54.41 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.897 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -65.0 -15.96 62.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' CA ' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.549 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.6 OUTLIER -68.34 -40.82 81.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.897 ' CG ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.8 -11.92 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.2 t -72.39 -57.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.549 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.35 -39.64 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.572 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.5 mt-30 -63.84 -46.12 86.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.78 -24.11 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -53.17 -33.27 51.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -163.81 73.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.226 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -73.16 -47.71 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.3 m-20 172.49 -94.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -81.81 -143.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.686 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -114.87 92.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 1.9 mpt_? -86.11 -166.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 34.3 m-70 -130.66 158.11 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.718 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -105.22 156.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.219 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.789 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -160.42 84.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 18.6 mt -85.89 154.84 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.526 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -175.7 110.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.48 121.81 39.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -22.56 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 21.8 t70 -123.76 66.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.572 HD13 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -91.2 109.04 20.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 t -128.5 -88.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.07 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.872 ' O ' ' HE1' ' A' ' 55' ' ' MET . 68.7 t80 -46.64 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.872 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 35.82 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.185 . . . . 0.0 111.007 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.79 -148.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -95.08 24.05 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.443 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -88.25 -59.02 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -82.65 -16.8 69.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.605 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.09 -44.29 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.41 -33.01 32.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -24.05 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.94 -35.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.527 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -59.78 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -60.41 -36.0 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -40.37 78.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 0.788 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.4 t80 -48.37 -40.99 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.059 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -87.26 -28.0 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 75' ' ' GLY . 4.7 mm-40 -143.95 147.1 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.718 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.58 124.95 53.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.657 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 16.9 t -133.31 154.66 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 14.5 p -154.31 131.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 110' ' ' LEU . 19.2 p -133.35 -171.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.39 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.94 44.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.625 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 4.2 tp -80.66 -145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.524 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.1 OUTLIER 176.18 162.7 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.6 20.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.13 19.49 6.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 52' ' ' LEU . 2.8 t -130.44 -36.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -11.78 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -27.28 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 25.1 m-85 -86.52 -23.85 25.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -34.44 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 56.5 mtp -85.24 -32.9 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -29.54 68.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.04 15.34 74.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.539 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 tp -115.85 10.56 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.65 -35.83 14.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -60.69 -23.22 64.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.741 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.59 -8.79 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.622 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 25.6 mm -118.98 -14.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.537 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER 33.22 89.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.597 1.186 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.67 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -106.75 176.53 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -147.5 -147.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 95.7 mt-30 -153.28 93.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.792 ' O ' ' N ' ' A' ' 107' ' ' GLN . 16.9 t 49.16 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.962 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -34.6 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.601 ' CD ' ' CG1' ' A' ' 78' ' ' VAL . 7.3 tt0 -66.39 -10.43 43.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -34.56 -30.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.5 -53.96 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -63.09 -19.16 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.622 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 65.0 tp -59.04 -38.81 80.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.744 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.8 -7.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.76 HD11 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.52 23.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.072 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 44.23 49.28 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.647 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 1.1 t 177.71 85.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.647 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.731 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 7.7 tt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.856 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -123.93 -151.62 8.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 174.98 142.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -151.12 142.4 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.704 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -135.24 133.39 38.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.692 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -137.49 149.97 47.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.49 137.55 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.708 ' C ' ' H ' ' A' ' 11' ' ' SER . 2.3 mtmt -143.11 105.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.619 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.1 tt0 63.29 -28.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 160.42 1.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.653 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.7 p -96.0 120.21 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -92.14 101.35 13.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.704 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -72.86 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.4 mp -114.89 94.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -92.61 97.55 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.7 133.53 35.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.33 113.8 16.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.731 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 160.53 -121.94 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.402 1.064 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.75 163.67 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 0.723 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.599 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -117.84 81.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.636 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 14.6 p30 -142.13 172.45 12.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.801 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -48.89 -25.08 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.609 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.801 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.0 m-70 -77.7 -48.4 16.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.656 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 12.1 p -77.59 -36.62 51.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB3' ' CA ' ' A' ' 59' ' ' GLY . . . -57.2 -21.54 34.24 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -54.66 -50.22 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -44.59 -45.05 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 63' ' ' ILE . 4.2 tp -72.4 -28.51 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.29 -44.71 61.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.563 ' O ' ' CG2' ' A' ' 34' ' ' THR . 15.1 pt20 -74.57 -36.54 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 19.7 tptt -52.78 -19.43 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 58.5 t -59.48 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -55.66 -40.63 72.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' C ' ' A' ' 31' ' ' GLN . 13.5 mt-30 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -26.03 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -48.53 -36.27 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -160.28 78.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -67.59 -51.49 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 153.43 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.6 -144.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.606 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -130.09 77.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.714 ' CB ' ' O ' ' A' ' 11' ' ' SER . 9.6 mtm-85 -81.17 -162.86 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.783 ' N ' ' O ' ' A' ' 11' ' ' SER . 66.0 m-70 -127.97 161.77 28.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.742 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.07 155.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.818 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -160.33 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 1.5 mm? -81.93 153.59 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.41 107.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.84 121.17 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -21.88 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.707 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -104.24 68.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD22 ' CB ' ' A' ' 55' ' ' MET . 1.1 tm? -94.93 124.77 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.434 ' O ' ' HE2' ' A' ' 55' ' ' MET . 3.0 t -135.02 -89.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 57.3 t80 -58.24 -67.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.93 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.86 93.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.41 -153.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.2 p -99.73 33.2 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -90.83 -48.84 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.937 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -96.44 -3.66 59.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.02 -44.03 51.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.36 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.79 -32.63 40.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -64.5 -24.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.4 0.706 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.8 -35.01 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.227 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.512 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -64.64 -45.89 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.63 77.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -86.74 -28.25 23.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 4.0 t80 -56.38 -49.75 73.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -74.04 -35.1 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.222 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 8.0 mm-40 -138.45 147.43 43.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.742 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.38 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 111.041 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.669 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 13.8 t -130.28 156.4 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.7 t -149.12 136.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 48' ' ' ASN . 30.0 p -137.51 -171.58 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.263 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.46 32.6 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.67 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -70.49 -158.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.527 ' N ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -174.36 163.39 2.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' CZ ' ' A' ' 88' ' ' ARG . . . -137.37 26.8 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.535 HG23 HD22 ' A' ' 52' ' ' LEU . 6.5 t -136.17 -37.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -10.9 60.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.27 -23.33 64.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.69 -46.29 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.708 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 14.3 m-85 -86.46 -18.48 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -34.24 70.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.395 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 27.6 ttp -86.6 -34.29 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.9 t -66.54 -44.65 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.76 -11.68 65.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.596 1.185 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -85.04 9.31 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.586 0.815 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.708 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.93 -33.57 7.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.95 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.45 -23.09 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.744 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.62 -9.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.698 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 17.4 mm -118.7 -13.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 32.41 90.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.682 ' CE2' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -117.29 166.57 12.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -144.27 -146.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.863 ' O ' ' N ' ' A' ' 105' ' ' GLU . 67.0 mt-30 -144.49 90.52 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.0 t 50.44 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 110.054 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.863 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -34.82 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.594 ' CD ' ' CG1' ' A' ' 78' ' ' VAL . 4.2 tt0 -67.69 -9.38 43.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.2 pt20 -36.03 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.02 -51.82 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -63.2 -24.14 67.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.669 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 36.4 tp -54.02 -42.92 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -61.29 0.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.749 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.17 18.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.432 ' HA3' ' CD2' ' A' ' 109' ' ' LEU . . . 49.1 20.19 1.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.525 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 2.7 t -149.49 77.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 0.766 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.764 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.72 -156.03 30.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 176.64 136.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.502 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -144.77 155.06 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.618 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.9 mtm -147.44 139.45 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -146.88 155.2 42.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -119.12 150.47 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.704 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -158.65 105.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.686 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 64.86 -28.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.704 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 158.07 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.623 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.2 p -89.33 120.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.641 ' CD2' ' HA ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -92.01 98.77 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 7' ' ' ASN . 1.5 m -71.0 144.34 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.3 mp -136.0 103.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -99.28 95.93 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -92.53 132.18 37.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.54 115.99 18.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.764 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.44 -120.48 1.03 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -122.19 160.62 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.6 OUTLIER -119.59 82.51 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.696 ' CG ' ' CE2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.92 166.51 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.776 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -44.22 -23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.776 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.8 m-70 -79.33 -51.58 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 1.9 p -80.68 -28.55 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -67.53 -28.26 67.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.66 -49.66 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.13 -43.18 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.519 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.1 -44.76 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -74.6 -34.67 62.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -69.45 -8.39 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 82.2 t -83.96 -50.55 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -56.26 -41.23 75.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.7 pp0? -59.56 -42.56 92.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -77.62 -24.38 49.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.512 ' CD2' ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.07 -33.58 26.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -163.4 72.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.9 -46.05 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 163.39 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.09 -135.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.1 mm -136.23 83.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.66 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.7 mtm-85 -81.5 -165.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.651 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 54.2 m-70 -128.13 161.73 28.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.67 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.55 156.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.773 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.7 t -157.2 82.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.2 mm? -87.11 151.54 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.771 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 179.95 107.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -99.31 119.91 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -21.57 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 23.8 t70 -119.43 66.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 HD13 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -94.83 105.42 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 t -123.19 -88.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.882 ' O ' ' HE1' ' A' ' 55' ' ' MET . 69.5 t80 -46.52 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.882 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 37.8 84.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.88 -150.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.4 p -87.8 13.28 10.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.453 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -81.74 -59.4 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.547 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -84.37 -17.3 64.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.613 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -49.73 -45.04 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.64 -32.37 37.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -24.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.56 -34.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' CD2' HG23 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -68.84 -38.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.18 -20.45 58.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -83.8 -44.19 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.28 -46.69 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -7.89 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.512 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 45' ' ' ILE . 8.4 mm-40 -138.48 146.97 42.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.667 ' SD ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 125.59 50.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -123.06 158.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.658 HG12 ' CD2' ' A' ' 101' ' ' PHE . 13.3 p -174.82 117.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 10.8 p -136.81 -171.11 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 49' ' ' LEU . . . 71.58 89.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.698 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -150.47 -156.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.531 ' N ' HG22 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -152.32 167.1 13.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.563 1.823 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.06 22.46 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.607 HG12 ' SD ' ' A' ' 55' ' ' MET . 2.4 t -139.94 -34.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -78.84 -9.83 59.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.37 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.754 ' O ' ' N ' ' A' ' 94' ' ' GLY . 0.2 OUTLIER -63.32 -38.74 92.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.616 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 58.5 m-85 -78.34 -31.93 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -32.66 73.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 tpt -130.24 -58.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.598 ' CA ' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.9 -12.18 16.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . -136.64 -176.36 14.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 1.002 ' O ' ' N ' ' A' ' 98' ' ' ILE . 11.9 tp -102.94 35.68 2.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 0.779 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.648 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -11.08 -46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.876 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.73 -25.95 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 1.002 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.17 -2.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 14.6 mm -114.95 -15.29 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 96' ' ' PHE . 4.4 mmt85 32.16 77.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 1.6 t80 -100.04 166.55 10.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.072 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -144.16 -148.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.831 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.9 mt-30 -149.7 96.22 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.7 t 53.59 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.831 ' N ' ' O ' ' A' ' 103' ' ' GLN . 7.0 tt0 -38.67 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -76.34 -21.83 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.9 pt20 -31.26 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.32 -63.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -61.8 -13.87 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.66 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -61.43 -37.3 83.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.681 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 94.8 m -58.39 -3.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.78 ' C ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 103.52 18.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 109' ' ' LEU . . . 106.43 61.16 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.4 OUTLIER 55.35 109.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.482 ' CB ' HG23 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.854 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.9 tp -179.05 138.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.797 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -102.81 -160.19 25.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.535 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 179.09 133.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.406 0.709 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.546 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -144.23 144.24 31.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.667 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.2 mtp -138.81 135.33 34.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.655 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t-20 -143.11 145.29 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -115.36 133.91 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.69 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -137.86 105.9 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.569 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 64.5 -26.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.69 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 159.74 -6.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.951 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.643 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 10.1 p -85.7 120.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.659 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.97 98.32 10.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.669 ' HB3' HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -73.78 133.61 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -124.43 97.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -93.08 101.12 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 6.3 mt -98.18 133.3 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.797 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -133.5 114.06 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.854 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.95 -118.44 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.603 ' OE2' ' CG ' ' A' ' 54' ' ' PHE . 3.1 mt-10 -120.77 158.73 26.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.586 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -121.59 83.16 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.594 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.02 168.66 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.738 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -45.75 -22.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.738 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.3 m-70 -80.14 -49.82 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.51 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -80.72 -31.75 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB3' ' CA ' ' A' ' 59' ' ' GLY . . . -65.36 -16.03 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -66.27 -48.4 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.465 ' O ' ' CD ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.82 -45.75 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -69.87 -27.5 64.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.47 -43.87 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.49 -35.76 75.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.6 tttp -61.55 -15.5 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' NH1' ' A' ' 66' ' ' ARG . 39.4 t -64.57 -57.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.93 -39.17 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.415 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 12.8 mt-30 -63.51 -45.56 90.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.2 -27.02 53.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 mt -52.46 -40.63 62.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.8 mp0 -168.13 79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -65.74 -48.55 71.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.5 m-20 176.43 -96.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 25.0 t70 -77.49 -109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.528 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.4 mm -149.15 83.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.73 -163.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.659 ' O ' ' N ' ' A' ' 13' ' ' LEU . 40.4 m-70 -134.27 157.21 46.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.718 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -107.62 160.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.83 HG13 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -157.75 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -81.96 151.35 27.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.745 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.66 108.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -98.9 123.22 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.85 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 36.1 t0 -119.06 64.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.567 ' CD1' ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -90.83 109.09 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.3 t -125.76 -89.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.868 ' O ' ' HE1' ' A' ' 55' ' ' MET . 66.3 t80 -47.18 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.868 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 35.49 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.7 -147.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -96.11 24.01 6.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -89.66 -55.61 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.06 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -85.85 -15.06 66.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.612 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.82 -43.56 48.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 0.807 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.86 -33.37 30.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.51 -28.44 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.21 -34.64 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.99 -33.66 76.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' C ' ' NH2' ' A' ' 66' ' ' ARG . . . -61.3 -30.34 73.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.555 ' NH1' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.57 -46.28 55.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.09 -45.24 42.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -84.76 10.22 11.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -109.18 -47.6 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.65 ' O ' HG21 ' A' ' 73' ' ' ILE . 10.4 tp -75.07 -22.71 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -79.63 -47.25 15.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.35 -13.14 62.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -80.44 -40.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.355 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' CA ' HD13 ' A' ' 42' ' ' ILE . . . 127.45 26.96 1.02 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -132.53 -134.61 3.55 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.579 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -154.56 152.37 29.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.718 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.02 125.1 53.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.57 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 86.7 t -126.18 156.14 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.658 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 14.7 p -158.17 135.68 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 3.4 p -138.89 -167.77 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 78.54 36.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.615 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 3.1 tp -75.58 -157.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.536 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -176.77 169.74 1.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -9.06 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.21 25.7 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 ' CG2' ' HE3' ' A' ' 55' ' ' MET . 3.2 t -139.7 -36.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.08 -11.79 60.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -24.36 64.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.85 -45.78 87.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.698 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 18.3 m-85 -85.83 -22.86 27.4 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -33.98 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.0 ttt -83.56 -36.42 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -28.49 68.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.98 10.61 65.29 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.5 tp -106.65 9.08 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.586 0.815 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -49.11 -36.28 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -21.44 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.681 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.31 -12.7 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.572 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 29.7 mm -117.32 -11.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 1.1 ttp180 33.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.658 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -103.71 172.29 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.492 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -145.18 -143.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.867 ' O ' ' N ' ' A' ' 105' ' ' GLU . 85.3 mt-30 -154.35 93.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' ' 107' ' ' GLN . 12.9 t 50.79 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -35.83 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' A' ' 110' ' ' LEU . 4.6 tt0 -68.76 -13.92 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.809 ' N ' ' O ' ' A' ' 104' ' ' SER . 11.3 pt20 -33.41 -31.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.61 -53.52 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -63.97 -19.36 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . 13.1 tp -57.64 -35.71 70.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.685 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -56.92 -5.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.361 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 96.65 26.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 41.92 24.96 0.19 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 25.1 t -143.27 71.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 0.819 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 161.0 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 2' ' ' LEU . 9.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.679 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -121.54 143.4 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.215 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.887 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -85.8 -156.1 26.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 178.01 134.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -147.87 143.06 27.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 31.3 mtt -139.41 138.72 36.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -146.56 147.82 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.26 136.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.71 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -140.2 106.52 5.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.567 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.72 -27.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.15 -5.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.609 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.6 p -86.1 124.49 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.59 96.97 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.644 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.5 m -72.12 136.01 46.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -128.34 102.71 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.54 102.31 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 3' ' ' GLY . 0.3 OUTLIER -95.92 131.73 41.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.887 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 149.9 -119.63 1.05 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -121.65 156.53 32.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.3 OUTLIER -117.92 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -141.49 171.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.765 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -46.5 -23.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.765 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.8 m-70 -79.19 -50.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.569 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -81.12 -30.0 34.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -61.31 -15.06 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.77 -51.93 65.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.09 -48.27 8.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 28' ' ' THR . 3.6 tp -71.8 -26.23 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.72 -44.17 81.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.695 ' O ' HG21 ' A' ' 34' ' ' THR . 16.9 pt20 -75.91 -19.73 58.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.376 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 66' ' ' ARG . 51.0 tptt -73.67 -31.78 63.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' SER . 3.0 t -62.08 -58.02 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.695 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.76 -31.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.582 HE21 ' N ' ' A' ' 35' ' ' GLN . 7.5 mm-40 -66.8 -39.32 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -76.95 -25.89 53.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -49.08 -35.02 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 7.8 mt-10 -168.44 75.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.47 -52.03 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 150.38 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.8 t0 -78.2 -127.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 ' CG2' ' A' ' 73' ' ' ILE . 6.2 mm -147.06 79.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.2 mpt_? -80.26 -164.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.716 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 33.3 m-70 -135.59 160.3 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.729 HD11 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.88 160.07 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.839 HG11 ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -158.53 84.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' HD12 ' A' ' 110' ' ' LEU . 31.2 mt -82.98 152.96 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -178.66 108.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.487 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -99.56 114.61 27.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -23.36 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 27.9 t70 -118.71 62.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.588 ' CD1' ' HB3' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.54 108.8 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -125.44 -89.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.737 ' O ' ' HE1' ' A' ' 55' ' ' MET . 56.9 t80 -45.91 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.737 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 34.37 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -102.71 -151.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -96.13 30.51 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.449 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -94.78 -49.74 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -93.42 -9.95 59.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.427 1.079 . . . . 0.0 111.019 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.578 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.54 -43.33 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.45 -33.38 28.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -24.75 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.81 -35.32 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.44 -43.0 86.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -56.5 -24.04 44.98 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' NH2' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.99 -40.13 28.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.753 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -56.31 -43.3 78.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -85.27 8.82 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.46 ' CG ' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -104.71 -47.2 4.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.608 ' CD1' ' CG2' ' A' ' 45' ' ' ILE . 4.8 tp -69.7 -34.48 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' NZ ' ' NH2' ' A' ' 100' ' ' ARG . 6.1 mttt -76.07 -21.65 56.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -28.74 60.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.537 ' CD1' ' O ' ' A' ' 36' ' ' SER . 1.8 mt -81.21 -32.16 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' CA ' HD13 ' A' ' 42' ' ' ILE . . . 122.44 25.45 1.98 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.507 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -117.0 -143.99 7.74 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' CD ' ' O ' ' A' ' 75' ' ' GLY . 0.5 OUTLIER -150.75 145.49 25.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 0.716 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.696 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -112.53 124.64 52.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.644 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 46.0 t -128.23 155.72 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' A' ' 101' ' ' PHE . 10.7 p -153.58 131.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.436 ' SG ' HD23 ' A' ' 110' ' ' LEU . 8.2 p -139.05 -167.84 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . 79.58 21.5 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.641 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 tp -66.57 -154.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.29 175.3 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -75.01 -7.28 19.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.418 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -128.79 33.69 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 52' ' ' LEU . 3.1 t -147.48 -36.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -76.1 -6.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.55 -16.55 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.1 mt -70.92 -45.13 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.64 -21.28 28.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -34.15 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.6 ttt -80.4 -35.18 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -55.56 12.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.928 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.23 -10.79 54.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -86.3 8.92 19.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.92 -34.47 12.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -62.8 -21.51 65.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.667 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.78 -12.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.61 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 32.6 mm -116.84 -13.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 96' ' ' PHE . 55.7 mtt180 32.5 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.641 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -105.46 174.21 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -155.57 -145.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.819 ' O ' ' N ' ' A' ' 105' ' ' GLU . 81.5 mt-30 -155.64 97.98 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.784 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.5 t 53.22 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.819 ' N ' ' O ' ' A' ' 103' ' ' GLN . 43.8 tt0 -38.29 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -71.82 -13.43 61.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.9 pt20 -35.26 -30.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.34 -53.44 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' GLN . 1.0 OUTLIER -65.82 -17.17 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.623 1.202 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.609 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 12.6 tp -60.64 -41.34 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 3.8 m -59.18 -2.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.792 ' C ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.73 10.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.535 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 73.26 37.2 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.695 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 1.9 t -172.88 80.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 0.722 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.695 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 146.82 94.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.638 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -107.75 142.2 38.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.15 -167.89 37.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.473 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER 177.69 136.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.66 ' N ' ' O ' ' A' ' 16' ' ' ARG . 4.7 t0 -139.99 172.46 12.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.571 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.9 mtp -157.11 134.39 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.886 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -135.17 175.09 9.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.2 t -143.25 136.85 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.717 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.51 104.53 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' O ' ' OG ' ' A' ' 11' ' ' SER . 5.0 tt0 63.01 -27.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.09 -1.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.9 p -95.48 121.5 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.886 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.35 108.4 20.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.585 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -73.72 126.94 31.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' CG ' ' A' ' 6' ' ' MET . 9.6 mm -108.79 92.08 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.66 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -94.53 110.75 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD1' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.91 138.98 53.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -126.41 114.94 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.638 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.59 -131.61 2.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -125.82 153.18 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.35 103.69 12.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.58 164.91 35.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.465 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.6 p80 -41.03 -27.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -75.9 -55.42 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.562 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -78.29 -11.29 59.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.624 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.77 -26.13 49.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.33 -46.64 87.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -49.71 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.368 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 HD13 ' NH2' ' A' ' 66' ' ' ARG . 5.2 tp -66.54 -27.18 67.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.05 -42.37 49.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.546 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.88 -31.2 51.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 16.6 tptt -66.03 -11.89 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' LEU . 11.5 t -77.29 -55.34 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.546 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.67 -41.07 63.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.4 mt-30 -63.2 -47.96 80.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.575 ' OG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -75.76 -23.35 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.564 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.28 -32.25 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 35.3 mt-10 -160.74 75.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.32 -48.46 61.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.8 m-20 167.41 -93.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 28.2 t70 -79.93 -120.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.59 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.68 83.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.96 -166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.725 ' CE1' HD23 ' A' ' 112' ' ' LEU . 39.6 m-70 -128.22 155.09 45.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.694 ' O ' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -103.27 159.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.856 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.7 t -158.21 85.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 110' ' ' LEU . 2.4 mm? -82.18 153.67 25.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 48' ' ' ASN . 3.4 t30 -178.28 109.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -110.01 127.59 54.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.72 -20.41 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 35.6 t0 -104.19 66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -89.28 101.84 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 t -112.63 -86.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' H ' ' HG3' ' A' ' 20' ' ' GLU . 71.4 t80 -73.47 -67.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.572 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER 34.93 82.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -104.76 -153.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.43 ' N ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -97.78 -3.77 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.465 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 4.3 m -59.48 -12.56 6.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -129.78 3.44 6.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -51.86 -55.37 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.31 59.13 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -60.97 -22.36 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.23 -38.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -66.12 -46.08 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.89 66.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.638 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -99.66 -30.57 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.73 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -59.01 -35.97 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' CE ' HD12 ' A' ' 98' ' ' ILE . 6.7 mmmt -86.05 -26.84 25.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -91.13 -10.25 42.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.638 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.0 tp -98.58 -34.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -74.78 -23.61 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.52 ' CG ' HG13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -72.03 -34.3 68.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.577 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -129.32 28.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -141.21 9.36 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.4 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 64.95 -58.79 0.08 OUTLIER Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 45' ' ' ILE . 4.6 mm-40 -148.46 149.5 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.589 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.8 123.67 47.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 111.003 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -114.38 155.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 101' ' ' PHE . 7.2 p -164.06 122.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.508 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -122.71 -170.57 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 68.84 65.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.61 HD11 ' CE1' ' A' ' 101' ' ' PHE . 10.6 tp -90.75 164.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.79 158.52 56.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.931 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -14.15 21.38 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.799 . . . . 0.0 110.976 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.12 30.51 6.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 1.2 t -142.62 -39.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' HB3' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.13 -12.45 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -24.69 62.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 57' ' ' SER . 5.0 mt -61.7 -41.93 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.709 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 30.9 m-85 -90.5 -24.05 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -34.02 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.31 -42.01 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -55.21 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.95 9.27 40.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' HG ' ' HB ' ' A' ' 98' ' ' ILE . 1.7 tp -107.56 11.65 28.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -43.34 -29.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 111.071 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -21.86 64.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.73 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.44 -17.68 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.648 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -108.53 -15.96 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.549 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 29.42 85.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.1 t80 -107.31 170.59 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.62 -146.7 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.884 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.3 mt-30 -148.61 90.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 107' ' ' GLN . 30.6 t 48.17 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 103' ' ' GLN . 33.4 tt0 -34.22 -33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.606 ' O ' ' N ' ' A' ' 110' ' ' LEU . 1.6 tt0 -57.13 -14.09 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -33.55 -32.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.199 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.39 -61.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -60.77 -20.84 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.606 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -53.6 -40.08 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.883 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.74 -2.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.883 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 97.36 19.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 52.37 36.17 45.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.639 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 78.9 t -151.16 70.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 150.47 97.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.955 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.699 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -170.87 140.42 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.848 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.75 -161.67 31.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 179.5 133.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -146.35 144.08 29.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.657 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 50.9 mtp -135.82 135.2 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.774 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.8 164.79 28.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -129.4 143.74 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.23 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.716 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.15 103.78 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.625 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 63.7 -28.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.226 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.716 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.96 0.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.7 p -94.53 121.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.26 103.05 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.657 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.8 OUTLIER -74.29 132.06 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 108.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -120.62 96.63 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -93.79 101.17 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 29' ' ' LEU . 5.7 mt -96.2 131.95 42.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.848 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -126.69 114.83 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.699 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.35 -104.45 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.399 1.062 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' HB3' ' OD1' ' A' ' 22' ' ' ASP . 2.4 mt-10 -146.72 156.61 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -119.84 84.38 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -128.52 169.95 13.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.736 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -49.42 -17.25 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.657 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.736 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.5 m-70 -86.99 -49.89 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.571 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -79.62 -30.8 41.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -54.71 -36.52 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.74 -51.93 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.42 -48.74 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 17' ' ' LEU . 5.6 tp -67.1 -27.41 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.61 -43.05 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.558 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.51 -29.14 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 22.8 tptt -70.36 -10.44 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 15.3 t -85.64 -51.66 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.558 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.05 -38.24 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.5 pp0? -57.84 -37.76 74.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.25 -27.24 42.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' CG ' ' A' ' 69' ' ' GLN . 1.1 mt -48.57 -40.73 28.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.89 74.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.75 -46.18 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.7 m-20 166.67 -91.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.37 -141.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.539 HD13 ' O ' ' A' ' 73' ' ' ILE . 1.3 mm -122.67 80.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.88 -168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.717 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 44.8 m-70 -131.27 157.61 42.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.629 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.807 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.69 157.81 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.823 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.6 t -155.87 85.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD2' ' HE2' ' A' ' 77' ' ' MET . 3.8 mm? -83.76 152.1 24.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -179.79 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.1 117.65 34.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -24.22 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 48.2 t0 -113.59 61.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -81.87 98.71 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -103.46 -80.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' GLU . 66.7 t80 -80.32 -69.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.63 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 37.44 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -106.52 -146.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -98.35 -2.01 40.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.411 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -56.03 -38.91 71.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.475 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -108.85 9.2 34.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -41.14 60.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 0.804 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.63 47.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -26.38 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -90.63 -34.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.53 -31.63 69.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -64.71 -27.43 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HB3' ' CE ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -77.5 -37.27 51.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -57.84 -46.08 85.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 8.0 mmmt -85.26 9.82 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.687 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.27 -28.36 10.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 10.3 tp -96.2 -35.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -76.02 -24.24 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -73.58 -25.8 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.687 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.34 -38.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.24 29.78 0.7 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -120.41 -140.28 6.01 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 75' ' ' GLY . 0.2 OUTLIER -149.91 144.75 26.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.807 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 4.3 tpt -108.52 126.98 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.623 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 48.3 t -130.62 156.77 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.61 HG21 ' CZ ' ' A' ' 101' ' ' PHE . 6.5 p -159.7 135.62 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 110' ' ' LEU . 14.4 p -133.15 -169.91 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 108.256 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 72.54 48.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.654 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 6.7 tp -79.45 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.556 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER 179.67 163.83 0.81 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.91 20.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.35 27.25 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 83' ' ' SER . 1.3 t -140.28 -34.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 10.1 ttpp -69.67 -12.08 61.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -20.3 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 57' ' ' SER . 4.3 mt -66.91 -45.36 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.715 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.37 -21.99 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.7 tpp -89.83 -30.9 17.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -66.41 -42.61 87.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.56 -7.84 71.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 ' CG2' ' A' ' 98' ' ' ILE . 7.9 tp -87.71 12.48 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.715 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -55.93 -25.02 41.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -63.3 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.803 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -97.75 11.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' A' ' 100' ' ' ARG . 19.8 mm -123.93 -19.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 27.52 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.654 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -113.52 169.18 9.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -150.34 -144.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.874 ' O ' ' N ' ' A' ' 105' ' ' GLU . 65.3 mt-30 -149.49 92.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 18.8 t 50.45 -63.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.874 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.7 tt0 -34.99 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 110' ' ' LEU . 6.2 tt0 -67.94 -7.56 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tt0 -35.31 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.31 -50.16 6.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -64.64 -22.76 67.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.623 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 11.3 tp -55.87 -36.89 68.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.692 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.0 -7.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.742 HD12 ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 106.64 21.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.605 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 45.94 49.8 12.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.742 ' N ' HD12 ' A' ' 112' ' ' LEU . 1.4 t 179.04 74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.531 ' HB1' ' CG2' ' A' ' 111' ' ' THR . . . 162.46 95.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.724 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER 154.78 140.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.82 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -112.17 -168.85 18.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.513 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -179.36 136.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -146.12 143.63 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.626 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 24.9 mtt -131.82 133.11 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.817 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.34 164.79 27.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.51 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -131.2 143.38 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.703 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.63 103.95 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 63.54 -28.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.703 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.2 -1.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.63 ' HA ' ' O ' ' A' ' 44' ' ' HIS . 9.5 p -93.92 120.12 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.25 105.4 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.632 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -74.72 131.48 40.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.4 mp -118.99 91.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -93.46 108.59 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.72 136.33 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.82 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.5 p -127.51 114.33 17.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.62 -116.77 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' O ' ' CB ' ' A' ' 25' ' ' THR . 4.1 mt-10 -123.94 162.5 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 0.811 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -121.02 80.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.613 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -140.4 172.76 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.82 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -44.89 -31.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.82 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 69.6 m-70 -72.94 -50.93 20.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.63 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.618 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 3.2 p -76.81 -31.73 57.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -60.97 -24.4 66.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -55.26 -55.32 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.73 -47.56 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tp -70.92 -25.51 62.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -55.62 -44.16 76.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.685 ' O ' HG21 ' A' ' 34' ' ' THR . 17.9 pt20 -77.24 -19.34 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HG3' ' NH1' ' A' ' 66' ' ' ARG . 17.2 tptt -74.58 -30.4 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 2.7 t -64.37 -57.56 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.685 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.34 -31.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.597 HE21 ' N ' ' A' ' 35' ' ' GLN . 6.4 mm-40 -66.24 -42.28 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.546 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -76.5 -26.61 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.071 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD22 ' NE2' ' A' ' 72' ' ' GLN . 1.6 mt -45.04 -39.44 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -165.51 76.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -69.26 -50.73 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.9 m-20 162.31 -92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.53 -114.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD12 ' CG2' ' A' ' 73' ' ' ILE . 1.3 mm -149.32 82.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -82.57 -167.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.646 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 45.7 m-70 -133.41 155.63 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.635 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.712 HD11 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.44 160.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.844 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -157.83 84.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.75 154.29 22.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -179.33 109.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.4 123.05 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.13 -21.87 16.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.626 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 24.0 t0 -103.85 67.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.601 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -92.95 125.49 37.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.452 ' O ' ' HE2' ' A' ' 55' ' ' MET . 7.6 t -136.28 -89.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.6 ' O ' ' HE2' ' A' ' 55' ' ' MET . 56.6 t80 -56.74 -67.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.962 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 38.36 94.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.4 -155.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -98.69 32.03 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -92.91 -40.69 10.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.043 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.504 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -100.54 -3.7 55.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.514 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.94 -44.02 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.3 -32.78 41.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -25.56 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.61 -34.74 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' CD2' HD13 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.93 -44.18 85.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.81 -23.16 43.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -82.8 -36.56 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.725 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 1.7 t80 -59.78 -46.08 90.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' CE ' HD12 ' A' ' 98' ' ' ILE . 10.3 mmmt -79.41 4.25 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.474 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -99.49 -49.25 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.528 HG22 ' CA ' ' A' ' 77' ' ' MET . 8.4 tp -66.49 -38.09 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -77.13 -22.76 52.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' NE2' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -68.79 -30.68 69.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 110.265 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.607 ' CG2' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -82.71 -22.56 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' CA ' HD13 ' A' ' 42' ' ' ILE . . . 115.39 22.67 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.441 1.088 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -111.34 -140.64 8.3 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -153.34 154.73 35.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.725 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 4.2 tpt -113.53 128.25 56.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.575 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 54.2 t -126.92 149.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 11.0 p -155.7 135.17 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 9.4 p -138.51 -167.41 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 108.246 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 77.49 27.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.672 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.4 tp -66.86 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.177 . . . . 0.0 109.338 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.569 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.2 OUTLIER 177.3 170.92 0.41 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.098 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -131.67 24.86 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 HD22 ' A' ' 52' ' ' LEU . 12.2 t -136.22 -37.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -73.54 -8.3 55.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -74.21 -24.66 59.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.95 -44.42 85.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.712 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 17.0 m-85 -86.11 -19.88 29.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -34.08 66.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.72 -32.63 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t -66.2 -29.37 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.13 74.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.6 tp -120.57 9.95 10.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.712 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.29 -34.96 16.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.673 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.19 -9.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.676 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 40.5 mm -117.93 -13.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.377 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.53 87.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.672 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.34 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.02 -150.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.876 ' O ' ' N ' ' A' ' 105' ' ' GLU . 62.2 mt-30 -152.15 92.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.781 ' O ' ' N ' ' A' ' 107' ' ' GLN . 21.1 t 49.52 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.876 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -34.93 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.672 ' O ' ' N ' ' A' ' 110' ' ' LEU . 8.5 tt0 -65.23 -9.75 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.781 ' N ' ' O ' ' A' ' 104' ' ' SER . 32.6 tt0 -33.89 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -89.38 -53.27 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -64.8 -16.73 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.672 ' N ' ' O ' ' A' ' 106' ' ' GLN . 4.7 tp -57.09 -38.03 72.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.679 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -56.53 -5.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.679 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.4 tt 98.43 27.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.78 26.59 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 28.8 t -141.01 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 161.68 94.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.691 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -108.05 144.59 35.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.864 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -89.29 -154.1 28.64 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 177.28 133.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.69 141.92 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.629 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.6 mtt -136.28 134.61 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -138.83 162.13 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -129.1 142.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.723 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.03 104.93 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.1 tt0 62.57 -26.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.723 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.69 -5.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.644 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.9 p -84.63 126.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.01 100.01 11.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.645 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -73.41 133.75 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.354 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -125.15 96.72 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -92.46 105.04 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -97.94 129.56 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.373 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.864 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -127.47 114.48 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.691 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.07 -119.83 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.52 156.69 35.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.585 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -115.44 97.48 6.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.49 168.79 24.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.755 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -44.63 -25.01 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.562 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.1 m-70 -76.2 -51.71 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -81.71 -29.84 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB3' ' CA ' ' A' ' 59' ' ' GLY . . . -62.99 -14.35 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.28 -50.95 68.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.23 -50.09 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.455 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.4 tp -69.64 -25.98 64.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.057 . . . . 0.0 109.213 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -54.84 -45.02 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.564 ' O ' ' CG2' ' A' ' 34' ' ' THR . 15.9 pt20 -76.2 -36.8 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.233 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 34.4 tptt -60.16 -13.63 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 42.4 t -69.73 -56.44 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.564 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.64 -40.32 72.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.4 mt-30 -59.8 -43.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -24.11 53.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD21 ' CG ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -52.56 -34.51 50.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.15 77.07 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -69.13 -46.62 67.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.1 m-20 170.18 -94.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.83 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 73' ' ' ILE . 1.7 mm -147.74 91.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 11' ' ' SER . 2.6 mtm-85 -90.11 -165.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.833 ' CD2' HD23 ' A' ' 112' ' ' LEU . 93.4 m-70 -134.66 158.36 44.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.779 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.93 158.88 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.847 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -159.7 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.608 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 1.2 mp -83.22 152.43 25.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' OD1' ' NE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -178.32 108.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.45 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -21.08 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.726 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 37.8 t0 -103.66 67.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.615 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -94.43 123.84 38.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.367 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.472 ' O ' ' HE2' ' A' ' 55' ' ' MET . 0.9 OUTLIER -133.72 -88.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.423 1.077 . . . . 0.0 109.976 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' O ' ' HE2' ' A' ' 55' ' ' MET . 1.0 OUTLIER -64.09 -61.87 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.911 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 41.6 97.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 58' ' ' SER . 6.6 t70 -112.03 171.85 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.449 ' N ' ' CG ' ' A' ' 56' ' ' ASP . 1.6 t -68.81 -3.67 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 5.2 m -56.89 -44.41 82.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -87.31 -8.11 75.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.29 -43.25 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.48 -33.49 31.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.29 -24.94 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.763 . . . . 0.0 109.202 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.52 -35.02 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD23 ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -63.35 -42.16 98.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -54.89 -33.8 56.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -70.36 -42.89 71.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.715 ' CG ' ' HG3' ' A' ' 77' ' ' MET . 2.4 t80 -53.66 -46.01 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' CD ' ' A' ' 72' ' ' GLN . 4.1 mmmm -89.8 24.56 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.501 ' CG ' HD21 ' A' ' 37' ' ' LEU . 1.9 mp0 -118.44 -39.91 2.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.664 ' C ' HG23 ' A' ' 73' ' ' ILE . 4.9 tp -89.63 -27.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' CD ' ' SD ' ' A' ' 77' ' ' MET . 4.4 mtpt -86.6 -40.69 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -71.81 -16.17 62.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.664 HG23 ' C ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -84.33 -37.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.408 ' O ' HG22 ' A' ' 42' ' ' ILE . . . 126.29 38.71 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -135.42 -139.13 3.98 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 45' ' ' ILE . 5.0 mm-40 -138.78 146.97 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.779 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -120.07 122.97 42.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.732 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 2.9 t -132.85 156.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.611 HG21 ' CE2' ' A' ' 101' ' ' PHE . 12.3 p -157.8 131.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.462 ' SG ' HD23 ' A' ' 110' ' ' LEU . 21.2 p -130.82 -171.34 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 71.93 74.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.653 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 2.4 tp -113.61 -144.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.529 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 174.19 166.46 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 0.96 8.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -134.02 23.09 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' CG2' ' CE ' ' A' ' 55' ' ' MET . 10.0 t -135.3 -36.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.73 58.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -70.76 -26.08 63.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.14 -45.64 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.6 m-85 -85.56 -22.01 28.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.39 -34.79 70.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.1 ttp -85.59 -31.8 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -66.29 -39.31 89.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.48 84.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.545 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 tp -111.85 9.56 20.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.97 -34.77 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -22.94 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.704 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -86.44 -8.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.497 ' O ' ' C ' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -114.75 -14.93 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 99' ' ' ILE . 7.4 ttm180 30.68 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.653 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -114.11 171.96 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -152.21 -148.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.837 ' O ' ' N ' ' A' ' 105' ' ' GLU . 52.2 mt-30 -148.24 94.25 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.6 t 53.27 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.837 ' N ' ' O ' ' A' ' 103' ' ' GLN . 23.9 tt0 -39.0 -28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 108' ' ' ALA . 3.5 tt0 -74.43 -18.12 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 tp60 -33.39 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -80.69 -57.1 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -59.92 -27.11 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.732 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 15.4 tp -54.0 -40.17 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.738 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -59.5 -2.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 100.13 25.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.516 ' O ' HG11 ' A' ' 114' ' ' VAL . . . 75.81 71.77 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.658 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.5 OUTLIER 40.72 52.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.484 ' HA ' ' CD2' ' A' ' 112' ' ' LEU . . . 33.88 39.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.508 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.51 ' O ' ' C ' ' A' ' 2' ' ' LEU . 50.6 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.751 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.6 tt -32.28 137.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.767 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -114.25 -155.75 11.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 173.7 138.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -150.06 142.99 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.1 mtm -134.11 136.86 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -142.14 165.0 28.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -132.77 149.36 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.685 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -157.83 107.53 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.6 tt0 64.78 -28.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 158.63 -2.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.635 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.2 p -88.77 123.87 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -96.83 102.44 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.227 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.618 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -74.13 134.95 42.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -124.98 96.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ASP . 1.3 mtt180 -96.41 106.88 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.63 134.35 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.767 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -126.27 112.75 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.751 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 166.03 -118.11 0.78 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.85 164.78 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.596 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -119.41 80.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.644 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.53 169.49 17.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.787 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -49.31 -20.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.787 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.0 m-70 -84.63 -45.79 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.598 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 2.4 p -80.35 -32.96 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -69.74 -20.91 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -65.94 -53.34 40.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.49 -48.85 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD13 ' CG ' ' A' ' 32' ' ' LYS . 4.7 tp -65.94 -28.65 69.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -45.95 -42.94 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.35 -30.54 63.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' CG ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -73.21 -14.44 61.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.482 HG23 ' CD ' ' A' ' 66' ' ' ARG . 13.7 t -83.03 -53.7 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -45.27 -38.39 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 36' ' ' SER . 2.3 pt20 -58.6 -41.94 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -76.45 -26.32 55.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -49.36 -33.89 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.6 mt-10 -163.24 73.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.35 -46.91 59.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 11.1 m-20 164.71 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -77.59 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.551 ' CD1' ' CG2' ' A' ' 73' ' ' ILE . 2.0 mm -147.42 85.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -82.98 -165.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.702 ' N ' ' O ' ' A' ' 11' ' ' SER . 41.2 m-70 -131.68 158.99 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.643 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.687 ' H ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.33 158.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -157.63 88.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.465 1.103 . . . . 0.0 109.191 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -85.5 154.22 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.8 t30 -178.03 107.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.93 125.39 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.17 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.57 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.8 t0 -105.1 67.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD22 ' CB ' ' A' ' 55' ' ' MET . 1.0 OUTLIER -95.51 126.23 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.435 ' O ' ' HE2' ' A' ' 55' ' ' MET . 16.2 t -138.92 -87.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CD2' ' OD2' ' A' ' 22' ' ' ASP . 68.1 t80 -54.81 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.931 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 36.16 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CB ' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -116.78 -149.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.4 p -93.67 29.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.472 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -94.51 -59.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -86.17 -11.2 73.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.437 1.086 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.558 HD23 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.47 -42.63 54.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.65 -34.61 30.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -24.24 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -91.51 -38.73 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -71.81 -29.79 64.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.77 -13.87 72.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.482 ' CD ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -85.21 -43.05 14.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.695 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.5 t80 -54.14 -47.06 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.47 1.23 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -103.75 -48.39 3.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 4.0 tp -67.46 -33.27 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -75.71 -22.72 56.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.85 -23.77 38.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.551 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 6.5 mt -81.04 -40.29 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.1 34.91 0.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -129.67 -145.92 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.521 ' O ' HG13 ' A' ' 45' ' ' ILE . 4.1 mm-40 -143.09 147.46 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.642 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.38 130.44 50.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -122.07 157.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.624 HG11 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -166.77 121.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.491 ' SG ' HD12 ' A' ' 110' ' ' LEU . 2.6 p -128.02 -169.45 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.227 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 72.89 37.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.609 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.8 OUTLIER -65.31 178.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.01 158.63 21.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.87 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.98 25.38 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.579 HG23 HD22 ' A' ' 52' ' ' LEU . 12.9 t -134.71 -38.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -74.04 -10.18 59.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.12 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.46 -39.51 85.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' HB3' ' CG ' ' A' ' 96' ' ' PHE . 97.1 m-85 -82.91 -23.51 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -35.65 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.1 ttp -89.66 -20.49 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t -66.62 -37.89 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.77 5.35 74.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.5 tp -114.52 10.93 16.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.614 ' CG ' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.43 -36.06 9.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -60.26 -22.35 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.695 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -80.51 -30.22 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.579 ' HA ' ' CD2' ' A' ' 67' ' ' TYR . 1.3 mp -93.49 -14.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER 29.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.624 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -103.44 167.48 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -139.98 -148.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.877 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.6 mt-30 -151.57 94.7 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.662 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.2 t 50.08 -62.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.027 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.1 tt0 -36.24 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.613 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.2 tt0 -61.76 -10.51 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -33.9 -31.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.69 -55.9 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -62.83 -16.93 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.709 ' O ' HG13 ' A' ' 78' ' ' VAL . 12.4 tp -57.09 -40.64 77.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.684 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -56.38 -6.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.477 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 106.94 21.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.604 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 44.95 49.76 9.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.775 ' N ' HD12 ' A' ' 112' ' ' LEU . 1.6 t -179.28 73.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 0.795 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 159.81 99.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.704 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.5 OUTLIER -151.09 142.05 22.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.841 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.83 -163.92 35.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.534 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -179.63 130.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.534 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -138.33 156.38 47.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.66 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 82.8 mtp -148.47 133.79 18.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -144.02 140.84 29.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -110.73 144.96 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.672 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -154.32 107.87 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.0 tt0 65.76 -25.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.672 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 155.21 -5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.625 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 12.0 p -86.91 124.88 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.63 98.01 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.66 ' O ' ' HA ' ' A' ' 6' ' ' MET . 1.6 m -73.63 130.57 40.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -122.02 101.9 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.14 101.97 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.29 130.53 43.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.841 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.62 113.75 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.704 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.11 -113.57 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -123.68 160.2 27.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -121.51 80.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.1 p-10 -139.97 177.8 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.766 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -47.38 -29.25 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.766 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 76.6 m-70 -70.91 -54.02 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.4 p -78.2 -28.81 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -66.44 -15.54 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -72.87 -46.74 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.453 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -46.15 -48.54 17.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' CD1' ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.35 -28.2 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -48.5 -42.45 32.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.569 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.29 -31.54 60.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.557 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 9.1 tmtm? -66.41 -12.69 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.508 ' CG2' HD12 ' A' ' 29' ' ' LEU . 13.9 t -75.59 -55.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.64 -38.32 60.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 15.3 mt-30 -62.86 -46.18 89.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -23.87 53.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.59 -39.45 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 63.0 mt-10 -161.97 72.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.4 ttpt -71.41 -47.32 56.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.4 m-20 166.79 -92.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.66 -116.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -149.77 86.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.2 -165.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.613 ' N ' ' O ' ' A' ' 11' ' ' SER . 42.0 m-70 -132.86 159.36 40.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.846 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -110.46 161.51 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.827 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.2 t -158.06 84.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 110' ' ' LEU . 3.7 mm? -81.86 151.65 27.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -176.95 108.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.1 125.57 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -22.92 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.642 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 26.0 t0 -104.73 66.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.44 125.1 36.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.436 ' O ' ' HE2' ' A' ' 55' ' ' MET . 11.6 t -137.55 -87.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 2.3 t80 -62.36 -60.85 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.955 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 37.89 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' LEU . 15.5 t70 -108.36 171.03 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' CG ' ' A' ' 56' ' ' ASP . 1.4 p -69.65 -4.22 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.499 ' HB3' ' N ' ' A' ' 23' ' ' HIS . 62.4 m -55.09 -38.21 67.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -94.19 -10.56 58.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.34 -45.19 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.22 -34.12 33.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.74 -38.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -67.25 -49.38 64.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -57.66 -24.7 53.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -81.99 -30.5 31.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.2 t80 -62.18 -42.6 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.7 -31.19 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.486 ' CD ' ' CD1' ' A' ' 37' ' ' LEU . 2.4 mm-40 -77.18 -50.59 12.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 66' ' ' ARG . 6.0 tp -55.84 -35.63 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -28.15 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.405 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' OE1' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -72.49 -12.23 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 2.8 mm -79.87 -32.64 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.489 ' CA ' HD13 ' A' ' 42' ' ' ILE . . . 115.76 21.18 5.11 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -126.76 -133.42 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.625 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -156.52 157.59 35.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.846 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -122.4 131.22 53.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.573 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 67.7 t -126.02 151.46 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.604 HG21 ' CZ ' ' A' ' 101' ' ' PHE . 8.7 p -150.24 132.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.551 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 30.5 p -137.56 -169.09 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 77.03 29.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 3.3 tp -67.33 -149.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.577 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.16 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.43 21.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.432 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -126.09 30.92 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.5 ' CG2' ' HE1' ' A' ' 55' ' ' MET . 4.3 t -143.75 -37.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -9.24 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.62 -17.36 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.516 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 6.3 mt -70.48 -44.97 66.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.716 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 22.0 m-85 -85.18 -21.87 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -34.17 72.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.4 ttp -90.42 -26.63 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -66.82 -32.18 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.87 18.5 78.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.51 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.4 tp -123.1 9.17 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.62 -33.44 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.1 -23.48 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.701 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.04 -10.54 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.642 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 45.5 mm -116.4 -14.38 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER 32.75 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -104.37 173.69 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.41 -146.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.882 ' O ' ' N ' ' A' ' 105' ' ' GLU . 69.9 mt-30 -154.99 94.72 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' ' 107' ' ' GLN . 27.7 t 48.81 -63.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -34.71 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -64.76 -9.41 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tp-100 -33.64 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -84.7 -53.98 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -64.9 -18.93 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -55.37 -42.68 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.679 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -56.07 -4.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.356 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.679 ' HB3' ' O ' ' A' ' 111' ' ' THR . 3.1 tt 96.87 26.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 41.49 25.55 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.18 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 53.8 t -148.3 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 160.71 95.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.995 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.662 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -134.63 144.05 47.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -101.24 -169.04 28.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.481 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 175.53 135.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -141.89 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.8 mtp -156.17 136.16 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.915 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -138.9 173.67 11.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -139.16 132.2 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.744 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -141.58 104.31 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.4 tt0 62.29 -26.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.744 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.51 -5.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.613 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.1 p -92.12 121.38 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.915 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -95.47 106.47 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -73.24 127.95 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.381 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' CE ' ' A' ' 32' ' ' LYS . 1.7 mp -114.52 98.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -97.69 108.5 21.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -115.27 133.53 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -124.0 114.85 20.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.662 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.32 -111.21 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.09 159.9 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' CD1' ' HG3' ' A' ' 55' ' ' MET . 0.3 OUTLIER -125.03 94.24 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -141.27 165.79 26.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.747 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -41.61 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.747 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.2 m-70 -86.77 -55.32 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 ' HB ' ' CD1' ' A' ' 2' ' ' LEU . 9.0 p -78.78 -2.5 39.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -79.34 -35.68 40.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.31 -49.15 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -44.85 -45.02 9.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.35 -28.53 62.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.25 -43.5 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.582 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.5 OUTLIER -59.93 -36.45 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.0 tptt -67.87 -18.15 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 29' ' ' LEU . 17.1 t -70.11 -56.46 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.61 -41.97 61.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.603 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 mt-30 -60.94 -46.3 91.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.23 -23.15 54.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.937 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -51.24 -35.36 36.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 6.3 mt-10 -168.82 79.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.88 -50.87 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 150.37 -82.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.1 t0 -73.75 -130.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 ' CG2' ' A' ' 73' ' ' ILE . 11.6 mm -144.0 77.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -80.64 -166.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.775 ' CD2' HD23 ' A' ' 112' ' ' LEU . 81.0 m-70 -134.83 160.43 38.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.919 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -109.03 158.62 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.843 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.6 t -157.18 86.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 110' ' ' LEU . 1.6 mp -80.16 156.47 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.534 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -175.53 110.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' CD2' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.08 125.8 46.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -23.65 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' HA2' ' A' ' 19' ' ' GLY . 18.1 t0 -118.68 63.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.573 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -85.61 103.1 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 t -109.11 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' HB3' ' CG ' ' A' ' 20' ' ' GLU . 86.1 t80 -85.62 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.577 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 38.0 85.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' CB ' ' CE2' ' A' ' 54' ' ' PHE . 3.2 t70 -108.84 -149.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' HD23 ' A' ' 89' ' ' LEU . 77.7 p -100.65 -0.38 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.489 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 2.9 m -63.2 -12.03 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.63 10.0 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -54.39 32.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -56.31 -37.86 75.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -20.58 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.38 -32.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 98' ' ' ILE . 4.1 tp -75.48 -24.07 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -75.71 -15.61 81.18 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -91.9 -37.33 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 0.824 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.6 t80 -56.71 -45.27 81.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.486 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 2.4 mtmt -81.07 8.02 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 65' ' ' GLY . 1.4 tp-100 -102.3 -47.44 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 77' ' ' MET . 9.0 tp -66.35 -35.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.62 -23.72 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -28.39 62.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.527 ' CG2' HD12 ' A' ' 42' ' ' ILE . 2.5 mt -81.66 -36.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' CA ' HD13 ' A' ' 42' ' ' ILE . . . 129.21 36.69 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.46 -138.67 4.16 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.553 ' CD ' ' HA ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -162.0 147.26 13.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.919 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 5.0 tpt -108.0 130.45 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.657 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 21.9 t -128.85 149.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.629 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 6.8 p -145.82 138.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.508 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 1.8 p -126.33 -165.24 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' CYS . . . 74.14 43.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.667 HD11 ' CE1' ' A' ' 101' ' ' PHE . 5.6 tp -61.91 170.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.54 163.8 17.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.23 42.45 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.546 ' CG2' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -154.16 -37.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' CB ' ' CD1' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -76.62 -8.55 57.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -80.69 -16.48 53.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HG ' ' CD ' ' A' ' 88' ' ' ARG . 6.7 mt -73.0 -41.47 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.0 m-85 -87.69 -20.64 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -34.15 66.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -39.87 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -66.4 -29.95 70.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.1 1.92 57.44 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -95.65 9.7 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.08 -39.13 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -61.08 -20.41 62.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.743 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.64 -18.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.697 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -114.09 -11.63 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER 36.48 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.667 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.2 t80 -114.0 167.72 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' C ' ' CG ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -143.13 -134.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 105' ' ' GLU . 4.0 mt-30 -155.72 108.96 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.58 ' O ' ' N ' ' A' ' 106' ' ' GLN . 5.3 t 49.75 -76.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -31.92 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.58 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.8 tt0 -47.04 -24.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.575 ' HA ' ' CD1' ' A' ' 110' ' ' LEU . 31.4 tt0 -42.8 -20.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -92.0 -42.19 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 106' ' ' GLN . 33.5 tp -72.94 -22.31 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.657 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 75.7 mt -55.22 -46.54 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.714 ' O ' ' CD2' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -55.29 -2.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.451 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.775 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 99.09 18.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.13 19.91 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.525 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 2.4 t -149.21 80.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 163.69 93.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.772 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -177.84 140.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.869 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.69 -159.78 23.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 177.71 134.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.477 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -133.16 163.59 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.572 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 23.7 mtm -152.15 139.4 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.894 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.1 175.73 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.1 t -145.07 138.94 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.705 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.45 104.36 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.2 tt0 63.51 -29.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.705 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.51 -4.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.4 p -95.66 121.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.894 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -79.83 124.98 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.2 mp -113.94 101.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -91.25 117.29 29.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -102.14 127.07 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.06 115.68 18.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.772 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 144.7 -121.08 1.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 2' ' ' LEU . 1.1 mt-10 -126.03 157.54 37.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.512 ' HB3' ' HE2' ' A' ' 55' ' ' MET . 1.2 mm? -121.14 99.94 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -149.28 165.19 32.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' H ' ' CB ' ' A' ' 58' ' ' SER . 1.9 p80 -41.7 -25.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.482 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -81.85 -56.3 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.553 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.492 ' HB ' ' CD2' ' A' ' 2' ' ' LEU . 25.6 p -79.85 -9.07 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -78.06 -15.18 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.53 -45.77 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -43.77 -48.13 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 tptt -56.81 -43.73 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.616 ' O ' ' CG2' ' A' ' 34' ' ' THR . 14.8 pt20 -74.26 -35.76 63.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 110.203 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 10.9 tptt -61.86 -13.54 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.508 HG11 ' CD2' ' A' ' 37' ' ' LEU . 14.8 t -74.97 -55.02 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.616 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.14 -38.85 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 16.8 mt-30 -61.52 -45.44 94.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.815 ' HG ' ' NH2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -76.7 -23.12 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 0.0 110.036 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -48.5 -33.31 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 32.6 mt-10 -160.9 76.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.99 -49.16 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.7 m-20 164.19 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 24.0 t70 -79.38 -111.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.557 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 2.0 mm -148.41 80.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.815 ' NH2' ' HG ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -82.05 -170.94 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 55.2 m-70 -128.59 159.14 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.521 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.735 HD11 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.31 161.01 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.862 HG11 ' O ' ' A' ' 46' ' ' VAL . 2.0 t -157.52 83.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -83.62 153.51 24.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 17.4 p-10 178.09 112.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.34 124.65 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -22.36 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.683 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 42.0 t0 -103.64 62.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.539 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 1.3 tm? -83.22 108.09 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -109.44 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 42.4 t80 -70.56 -79.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.834 ' HE2' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.55 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.576 ' N ' ' HE1' ' A' ' 55' ' ' MET . 5.3 t70 -112.23 -145.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.441 ' HB3' ' CD2' ' A' ' 89' ' ' LEU . 1.5 p -93.31 26.7 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -90.8 -55.31 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -85.82 -6.55 82.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.09 -42.67 60.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.95 -33.64 36.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -23.85 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CG1' ' NH2' ' A' ' 66' ' ' ARG . 2.0 mt -95.79 -31.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 98' ' ' ILE . 4.1 tp -73.67 -27.25 61.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.4 -14.32 77.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NE ' HD13 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -91.04 -35.04 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.703 ' CD2' ' HB3' ' A' ' 77' ' ' MET . 2.0 t80 -60.93 -47.79 84.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -5.84 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -97.32 -50.3 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.558 HG22 ' CB ' ' A' ' 77' ' ' MET . 3.8 tp -63.72 -32.31 56.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.05 -27.49 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -16.6 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.509 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 2.7 mm -80.68 -33.74 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.512 ' CA ' HD13 ' A' ' 42' ' ' ILE . . . 120.72 18.71 3.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -119.48 -135.66 5.12 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.593 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -155.7 153.79 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.703 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.88 127.62 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.599 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 42.2 t -126.27 148.23 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.573 HG21 ' CE2' ' A' ' 101' ' ' PHE . 7.8 p -155.05 135.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 13.9 p -138.43 -169.6 2.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 74.92 40.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.606 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.3 tp -66.5 -146.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.569 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -177.89 162.23 1.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.5 18.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.01 30.61 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' CG1' HD13 ' A' ' 82' ' ' ILE . 1.1 t -145.9 -35.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 96' ' ' PHE . 4.0 ttpt -65.81 -18.89 65.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -21.91 66.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 57' ' ' SER . 0.2 OUTLIER -65.54 -46.8 78.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 60' ' ' LEU . 39.7 m-85 -84.6 -23.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -34.44 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.7 ttp -90.22 -26.53 20.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -42.98 89.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.94 86.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.09 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.9 tp -112.1 10.2 20.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 0.734 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.619 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -48.14 -33.29 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -61.75 -24.28 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.694 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.37 -9.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.652 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.8 mm -116.02 -13.3 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 31.03 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.606 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -103.39 171.23 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -145.54 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.866 ' O ' ' N ' ' A' ' 105' ' ' GLU . 49.9 mt-30 -152.21 92.69 1.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.79 ' O ' ' N ' ' A' ' 107' ' ' GLN . 25.3 t 49.73 -63.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.866 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.4 tt0 -34.52 -31.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' A' ' 110' ' ' LEU . 7.5 tt0 -65.65 -10.13 33.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.79 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.0 tp-100 -33.78 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.99 -53.66 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -64.91 -18.81 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.631 ' N ' ' O ' ' A' ' 106' ' ' GLN . 5.1 tp -55.77 -36.25 67.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -57.35 -5.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.664 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.7 tt 97.67 26.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 41.22 26.19 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 36.2 t -145.37 71.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 161.43 95.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 3.7 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.931 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER 70.48 131.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.832 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -144.62 79.64 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 17' ' ' LEU . 3.0 tp -70.59 151.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 16' ' ' ARG . 26.7 t0 -141.51 170.41 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.594 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 34.7 mtp -156.96 134.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.648 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -143.52 164.69 29.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -133.41 142.21 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.722 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.11 104.74 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.28 -27.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.738 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 161.57 -3.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.639 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.9 p -88.28 120.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.06 102.94 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.637 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -77.76 131.54 37.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 1.6 mp -120.48 90.78 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -88.25 101.69 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 2' ' ' LEU . 1.9 tm? -103.39 124.9 49.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.832 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -127.9 110.38 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.931 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.42 -120.17 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -123.55 163.01 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.561 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -126.3 88.74 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -142.04 169.23 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.725 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -47.77 -16.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.555 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.725 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.1 m-70 -95.79 -52.88 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.646 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 22' ' ' ASP . 18.2 p -79.91 -20.72 45.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.15 -14.45 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -62.28 -46.97 86.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -43.16 -47.84 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.6 tp -72.67 -29.98 63.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -51.97 -43.41 63.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 17.5 pt20 -77.62 -33.34 53.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 0.4 OUTLIER -63.76 -12.1 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' CG1' ' HG3' ' A' ' 66' ' ' ARG . 11.8 t -75.52 -54.6 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -54.0 -39.06 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 19.9 mt-30 -62.73 -47.46 83.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -76.05 -23.49 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -51.34 -34.13 32.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -165.26 76.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.252 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 8.0 ttpt -69.96 -47.12 63.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 165.86 -91.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.78 -140.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -125.95 82.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.63 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.62 -166.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.768 ' CD2' HD23 ' A' ' 112' ' ' LEU . 57.3 m-70 -127.8 159.98 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.62 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.794 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.56 157.67 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.85 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -159.01 84.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.583 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.7 mm? -83.44 153.1 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -176.72 107.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.63 122.49 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.95 -22.97 16.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 19' ' ' GLY . 15.5 t70 -121.45 66.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 55' ' ' MET . 0.1 OUTLIER -96.18 113.66 25.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -129.31 -88.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.727 ' O ' ' HE1' ' A' ' 55' ' ' MET . 59.2 t80 -47.56 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.728 ' CE ' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.43 87.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -100.47 -146.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -94.84 12.5 27.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.567 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -78.98 -61.07 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.56 -19.28 74.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.21 -44.47 53.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.24 -32.3 39.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -24.17 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.92 -34.68 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.62 -46.25 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.01 -9.77 42.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 70' ' ' ILE . 2.1 mtp180 -100.29 -34.03 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.696 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -54.91 -35.19 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.64 -25.83 22.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.597 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -94.28 -9.57 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.763 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.5 tp -98.31 -36.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -72.42 -22.91 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.524 ' CG ' HG13 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.597 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -132.18 33.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -142.83 4.71 1.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . 66.38 -59.26 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.525 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 12.9 mm-40 -144.41 147.36 33.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.794 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.97 125.82 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.662 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 1.1 t -125.1 158.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.634 HG12 ' CD2' ' A' ' 101' ' ' PHE . 10.0 p -166.89 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.435 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 72.58 40.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 101' ' ' PHE . 3.7 tp -76.44 -144.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -177.87 161.94 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.69 11.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.39 27.07 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 52' ' ' LEU . 3.0 t -139.45 -36.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -71.15 -9.58 58.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' N ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -71.02 -23.12 62.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.344 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.05 -46.14 85.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.232 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.713 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 20.1 m-85 -85.74 -21.64 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -34.23 70.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ttt -83.92 -35.26 24.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t -65.46 -46.17 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.34 79.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.6 tp -94.07 10.65 32.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.81 -32.7 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.6 -22.35 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.696 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.17 -11.64 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.684 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.1 mm -115.37 -14.32 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER 32.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.66 171.49 7.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.0 -145.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.222 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.849 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.8 mt-30 -157.68 99.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.772 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.2 t 51.42 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.8 tt0 -38.16 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.6 tt0 -72.54 -23.0 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.237 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.8 tp60 -33.35 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -83.77 -62.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 HD22 ' CA ' ' A' ' 113' ' ' GLY . 0.2 OUTLIER -59.46 -16.89 26.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.662 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.9 -37.34 76.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.782 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -59.99 -0.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.782 ' HB3' ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 105.63 16.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.473 ' CA ' HD22 ' A' ' 109' ' ' LEU . . . 75.6 -4.71 41.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 115' ' ' ALA . 2.8 t -122.4 -139.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.572 ' CB ' ' CG2' ' A' ' 111' ' ' THR . . . 35.44 39.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.724 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 59.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.832 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 tp 143.19 138.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.876 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -108.73 -156.11 17.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.567 1.167 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.55 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 178.92 134.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.55 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -145.43 144.82 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.684 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.1 mtp -137.76 136.05 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.778 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.62 164.56 28.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -127.83 140.59 48.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.708 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.55 103.75 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.3 tt0 63.41 -29.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.708 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.24 -2.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.653 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.0 p -91.87 123.48 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.778 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.74 101.8 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.684 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -71.56 130.23 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.2 mp -117.65 95.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 1.1 ttt180 -90.48 99.28 12.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -94.01 129.61 40.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.876 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.07 114.93 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.832 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.84 -118.99 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 25' ' ' THR . 3.3 mt-10 -129.54 155.74 45.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.734 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER -117.4 83.8 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.608 ' OD1' ' N ' ' A' ' 25' ' ' THR . 26.3 p30 -130.22 177.32 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.742 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.0 p80 -55.22 -16.56 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.742 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.4 m-70 -88.15 -47.84 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.608 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 6.6 p -78.48 -33.23 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.066 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -53.18 -46.12 68.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -53.51 -51.0 64.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 110.352 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 25' ' ' THR . 14.5 m -44.44 -46.64 9.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -68.42 -30.56 69.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.38 -44.38 62.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.606 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -73.63 -33.89 64.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.644 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -73.37 -12.87 60.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 57.6 t -88.68 -52.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.606 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -43.12 -33.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.644 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 17.1 mt-30 -66.75 -46.25 76.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.513 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -77.85 -24.34 48.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.504 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -50.13 -32.46 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 56.9 mt-10 -160.45 74.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.99 -43.17 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.0 m-20 159.99 -84.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 40.7 t0 -74.6 -130.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.56 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -138.25 86.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.688 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 1.7 mtt85 -84.45 -166.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.729 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 70.1 m-70 -128.59 162.59 26.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.36 155.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.841 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.6 t -158.68 85.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -83.11 152.5 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -177.1 109.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.33 119.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.97 -23.24 18.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 54.7 t0 -114.42 63.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -84.44 104.63 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 t -111.62 -85.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CB ' ' CD ' ' A' ' 20' ' ' GLU . 30.3 t80 -75.19 -61.09 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.527 ' HG3' ' CB ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 31.77 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.072 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.39 -152.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 2.89 43.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -53.46 -36.74 61.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.72 7.98 31.86 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -50.41 -45.96 55.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.77 79.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -21.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.88 -40.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 0.2 OUTLIER -69.18 -47.59 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.32 -12.21 63.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.703 ' O ' ' N ' ' A' ' 70' ' ' ILE . 1.2 mpt_? -98.64 -43.38 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -41.37 -37.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.489 ' CE ' HD12 ' A' ' 98' ' ' ILE . 5.0 mmmt -81.2 -34.56 32.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' HD13 ' A' ' 73' ' ' ILE . 2.7 mt-30 -79.32 -45.93 18.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.703 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.3 tp -65.54 -25.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -72.8 -44.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' CG ' HG13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -52.75 -38.55 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.536 HD13 ' O ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -124.71 35.05 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -139.93 -0.28 1.99 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.66 -59.77 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.516 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 21.1 mm-40 -144.88 147.9 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.796 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.744 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.25 119.66 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.656 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 21.1 t -131.01 151.64 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.586 HG21 ' CE2' ' A' ' 101' ' ' PHE . 7.5 p -151.25 135.44 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' HD23 ' A' ' 110' ' ' LEU . 13.9 p -125.43 -168.29 1.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 49' ' ' LEU . . . 73.06 50.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.649 HD11 ' CE1' ' A' ' 101' ' ' PHE . 3.0 tp -70.25 172.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.87 162.0 23.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.31 45.25 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.533 ' CG2' HD12 ' A' ' 52' ' ' LEU . 1.4 t -158.55 -35.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.507 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -80.37 -3.89 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.573 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -83.56 -16.51 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.573 ' CD1' ' NH1' ' A' ' 88' ' ' ARG . 17.3 mt -73.78 -42.36 61.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 13.3 m-85 -87.26 -18.71 29.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -34.26 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.91 -40.89 19.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -33.47 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.7 -1.85 60.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.7 tp -90.72 10.72 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.02 -32.88 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -62.62 -21.77 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.753 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.57 -9.86 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.695 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -115.3 -14.51 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER 32.49 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.3 t80 -111.49 170.38 8.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -143.61 -145.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.2 mt-30 -148.51 88.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.761 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.4 t 48.9 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -35.06 -30.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.598 ' CD ' ' CG1' ' A' ' 78' ' ' VAL . 6.8 tt0 -66.42 -6.08 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 104' ' ' SER . 43.6 tp60 -35.95 -29.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.85 -47.83 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -60.97 -29.12 69.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.656 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 7.3 tp -49.54 -43.0 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.724 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -59.84 -0.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.729 ' CD2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.27 18.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.436 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 49.0 20.16 1.79 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.518 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 2.7 t -150.05 78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.45 0.736 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 111' ' ' THR . . . 163.12 96.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.805 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 9.4 tp 70.89 136.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -106.1 -151.98 19.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.531 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 176.46 135.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.531 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -144.33 144.14 31.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.623 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 25.2 mtm -137.39 134.53 36.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -139.71 165.87 26.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -131.71 144.02 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.86 104.66 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 tt0 63.36 -26.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.725 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.86 -5.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.638 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.6 p -86.3 126.42 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.665 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.4 102.76 14.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.651 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -75.2 134.08 41.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -123.39 91.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 103.84 15.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD1' HD21 ' A' ' 29' ' ' LEU . 22.8 mt -96.87 130.81 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.833 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.21 114.27 16.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.17 -120.2 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.5 OUTLIER -124.18 159.56 29.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.624 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -117.93 93.11 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.3 p30 -148.64 169.03 21.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.56 -28.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' ASP . 7.8 m80 -74.81 -57.23 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 17.6 p -77.82 -14.96 59.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.72 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.16 -15.03 61.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -69.58 -44.97 69.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.477 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -45.34 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -70.88 -27.23 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.33 -42.77 96.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.741 ' O ' HG21 ' A' ' 34' ' ' THR . 17.7 pt20 -78.74 -22.67 46.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 23.7 tptt -72.24 -24.76 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 18.1 t -64.27 -59.51 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.741 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -45.76 -31.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.644 HE21 ' N ' ' A' ' 35' ' ' GLN . 5.9 mm-40 -68.58 -44.4 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -76.4 -23.46 54.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD2' ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -48.69 -35.51 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -164.27 75.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -71.77 -48.55 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.7 m-20 168.05 -93.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.25 -114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.537 ' CD1' ' CG2' ' A' ' 73' ' ' ILE . 5.2 mm -147.38 80.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -77.86 -168.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.698 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 36.4 m-70 -131.23 159.5 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.701 ' C ' ' CD1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -101.45 158.23 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.794 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -159.02 85.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' HD22 ' A' ' 110' ' ' LEU . 3.6 mm? -83.85 151.55 25.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -179.43 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.61 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -21.3 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.7 t0 -106.63 67.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.609 HD22 ' CB ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -93.26 124.51 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.481 ' O ' ' HE2' ' A' ' 55' ' ' MET . 2.0 t -134.84 -88.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 1.4 t80 -62.88 -60.71 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.967 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.15 94.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 8.3 t70 -113.74 171.2 7.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 56' ' ' ASP . 9.6 p -69.79 -2.35 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.49 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.5 m -56.55 -40.17 74.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.505 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -92.58 -7.99 62.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.45 -43.3 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.07 -34.55 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -24.43 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 0.814 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -34.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 HD23 ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.41 -39.95 85.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.2 -22.77 44.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.579 1.174 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -87.64 -51.35 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.687 ' CE2' ' HA ' ' A' ' 99' ' ' ILE . 1.7 t80 -40.79 -37.65 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -79.6 -37.2 36.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.697 HE21 ' N ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -70.0 -46.81 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.697 ' N ' HE21 ' A' ' 69' ' ' GLN . 4.9 tp -55.57 -46.59 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -70.86 -22.96 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -70.41 -24.83 62.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 3.0 mt -81.45 -31.88 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 20.53 7.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.05 -143.61 12.13 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' CG ' HD21 ' A' ' 112' ' ' LEU . 5.6 mm-40 -141.96 148.36 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.69 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -116.3 124.9 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.617 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 67.8 t -132.63 144.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 101' ' ' PHE . 8.5 p -145.39 133.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.434 ' SG ' ' HG ' ' A' ' 110' ' ' LEU . 26.6 p -136.18 -170.04 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 74.11 47.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.698 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 3.4 tp -90.55 -150.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.544 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 179.22 169.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.892 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.59 12.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -132.02 23.83 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.496 HG23 HD22 ' A' ' 52' ' ' LEU . 8.6 t -136.02 -37.23 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -72.28 -10.4 59.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -69.02 -28.07 66.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.5 -46.18 84.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.705 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 31.9 m-85 -86.45 -26.86 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -33.96 74.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 20.8 ttt -81.17 -33.44 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -49.07 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.66 47.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.528 ' CD2' ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.45 11.56 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 0.0 109.327 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -45.64 -26.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -22.61 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.659 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -88.18 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.687 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.5 mm -114.8 -17.15 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 14.4 ttm-85 30.09 89.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -142.78 -146.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.852 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.5 mt-30 -154.54 95.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 107' ' ' GLN . 15.5 t 49.99 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.852 ' N ' ' O ' ' A' ' 103' ' ' GLN . 4.0 tt0 -34.7 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.1 tt0 -62.12 -12.66 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.72 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -34.24 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.71 -56.29 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.448 ' CD2' ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -64.84 -12.17 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -62.78 -38.14 89.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.692 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -57.84 -6.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 110.46 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.698 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 106.48 23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.557 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 42.82 52.58 5.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 112' ' ' LEU . 1.0 OUTLIER 176.27 81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.353 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 161.0 96.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.604 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 65.9 m . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.635 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 2.4 tp 155.8 141.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -103.72 -176.45 25.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 179.47 131.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.644 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 t70 -134.86 171.24 14.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.694 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mtm -155.46 132.94 11.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.83 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.46 166.98 23.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.509 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -131.75 142.82 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.702 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.63 103.79 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.0 tt0 63.98 -28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.61 -2.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.626 ' HA ' ' O ' ' A' ' 44' ' ' HIS . 7.5 p -93.97 120.0 42.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.83 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -92.54 107.18 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.7 OUTLIER -74.66 137.85 42.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mp -126.96 96.58 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.359 1.037 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.644 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -98.39 110.82 23.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.74 138.11 52.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.747 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.4 p -129.18 114.57 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 165.63 -118.43 0.8 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.458 1.098 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.05 162.56 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 0.802 . . . . 0.0 110.301 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -119.22 84.59 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.16 170.3 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' CB ' ' A' ' 58' ' ' SER . 3.1 p80 -45.53 -27.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.5 -50.41 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.4 p -79.49 -28.42 41.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.21 -17.83 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -68.21 -46.81 69.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 110.223 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.79 -48.57 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' VAL . 5.2 tp -65.77 -29.57 70.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.6 -43.55 12.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.593 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 39.2 tptt -66.74 -12.29 58.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.648 ' O ' ' N ' ' A' ' 37' ' ' LEU . 37.4 t -77.51 -55.55 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -50.46 -39.77 48.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.569 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 10.0 mt-30 -65.65 -49.05 70.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.515 ' OG ' ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -76.38 -24.42 54.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.648 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -50.46 -36.04 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 33.4 mt-10 -160.37 73.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.2 ptpt -72.87 -40.82 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.598 1.186 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 152.1 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -77.22 -139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -133.75 85.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.605 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.08 -168.08 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.64 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 54.8 m-70 -127.93 159.7 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.716 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.09 161.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.813 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -158.22 86.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' HE2' ' A' ' 77' ' ' MET . 12.8 mt -85.7 154.99 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.43 108.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -111.91 127.4 55.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -22.1 13.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 32.5 t0 -104.74 67.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -96.57 125.68 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.416 ' O ' ' HE2' ' A' ' 55' ' ' MET . 6.1 t -139.67 -86.12 0.22 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 80.1 t80 -54.28 -70.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.924 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 35.48 91.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -112.64 -151.18 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.0 t -95.89 29.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.47 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -87.57 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.43 -16.27 69.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.659 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -44.94 61.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.373 0.69 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.86 -34.87 32.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -21.53 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.726 . . . . 0.0 109.227 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mt -98.44 -38.14 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -63.45 -50.18 70.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -25.39 71.89 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -84.29 -43.01 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -39.68 -44.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -70.82 -41.0 72.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.532 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -72.5 -48.45 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 66' ' ' ARG . 8.7 tp -61.64 -27.93 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.35 -31.26 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -69.74 -30.7 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -130.87 32.7 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -150.89 12.56 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 61.52 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.605 ' C ' HD22 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -148.62 150.27 32.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.716 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.23 131.14 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -121.11 157.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.233 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.678 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 12.6 p -163.3 124.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 47' ' ' LEU . 3.4 p -125.51 -170.68 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.53 34.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.622 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -59.75 179.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.08 159.0 24.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.89 6.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -136.77 26.23 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' CG2' ' SD ' ' A' ' 55' ' ' MET . 13.9 t -134.31 -39.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 52.5 pttt -71.79 -10.48 59.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.69 -25.85 64.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.99 -45.52 73.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.659 ' CZ ' ' CD2' ' A' ' 60' ' ' LEU . 44.1 m-85 -82.52 -19.42 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -35.78 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 mtt -88.92 -27.09 21.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.913 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.07 21.0 67.55 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.557 ' CD2' ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.81 12.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -42.08 -30.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -22.38 65.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.7 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.65 -8.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.681 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 31.6 mm -114.91 -15.75 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 30.79 88.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -111.9 166.87 10.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -135.19 -146.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.904 ' O ' ' N ' ' A' ' 105' ' ' GLU . 29.6 mt-30 -154.64 96.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.745 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.1 t 46.64 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.904 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.4 tt0 -34.17 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.0 tt0 -61.71 -11.26 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.1 pt20 -35.08 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.193 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -93.12 -51.26 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.483 HD21 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.1 -15.11 62.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.668 ' O ' HG13 ' A' ' 78' ' ' VAL . 9.0 tp -55.31 -37.01 66.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.626 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -57.09 -4.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER 94.67 28.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.483 ' CA ' HD21 ' A' ' 109' ' ' LEU . . . 40.38 25.67 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.604 ' CG1' ' NE2' ' A' ' 44' ' ' HIS . 92.8 t -128.72 61.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.529 ' O ' ' CB ' ' A' ' 116' ' ' SER . . . 162.21 94.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.2 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.765 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -156.04 140.41 16.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.83 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -96.46 -163.17 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -179.88 132.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.546 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -143.54 145.76 32.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.2 mtt -139.12 135.08 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.31 163.57 32.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -127.78 141.37 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.54 104.73 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.6 tt0 63.14 -26.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 159.77 -2.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.64 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.8 p -89.32 124.96 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.05 100.71 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.635 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 1.3 m -74.25 138.09 43.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.6 mp -129.33 102.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -99.27 100.38 11.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.24 129.36 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.83 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -128.06 115.43 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.765 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.14 -119.64 1.02 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -122.35 158.17 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.573 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -125.4 84.84 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -136.19 167.64 20.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.88 -26.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.2 m80 -77.73 -53.05 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.573 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -78.91 -21.34 47.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.41 -17.84 61.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -70.06 -45.76 66.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -47.12 -47.13 23.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -67.84 -28.08 67.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.78 -40.96 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.547 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.33 -33.28 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.3 tptt -65.83 -13.1 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.54 ' CG2' ' HG3' ' A' ' 66' ' ' ARG . 12.1 t -72.31 -56.55 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.547 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.83 -38.24 61.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.553 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 12.0 mt-30 -64.56 -47.46 78.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -26.55 56.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER -51.22 -37.58 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 28.4 mt-10 -161.67 75.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 9.5 ttpt -69.1 -46.96 66.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 167.11 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -77.32 -139.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.598 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.1 83.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.52 -166.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.754 ' O ' ' N ' ' A' ' 13' ' ' LEU . 47.4 m-70 -130.8 160.54 34.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -102.83 157.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.788 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -159.23 87.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' CD2' ' HE3' ' A' ' 77' ' ' MET . 0.1 OUTLIER -83.24 154.06 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.84 109.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.26 123.62 44.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -23.39 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 56.9 t0 -122.2 63.33 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -84.64 99.64 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.0 t -103.19 -88.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -61.8 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.87 ' HE2' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.84 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.538 ' N ' ' HE1' ' A' ' 55' ' ' MET . 13.0 t0 -109.55 -144.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.98 6.09 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.439 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -62.98 -55.11 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.59 0.5 85.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -43.21 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.87 -35.99 26.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -21.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.11 -37.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -67.29 -47.37 70.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.5 -14.06 64.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -96.78 -38.82 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 3.8 t80 -45.87 -48.65 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -76.81 -36.66 56.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.574 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -71.72 -22.04 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.691 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -97.08 -41.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HB3' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -65.02 -34.0 77.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.598 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -60.24 -39.89 88.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.574 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -121.95 25.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -130.71 2.02 5.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.417 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . 70.48 -61.13 0.87 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 112' ' ' LEU . 5.9 mm-40 -139.89 148.13 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.744 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.84 125.04 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.659 ' H ' ' CG1' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -119.79 161.28 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.624 HG11 ' CD2' ' A' ' 101' ' ' PHE . 10.2 p -171.2 119.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.381 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 21.6 p -123.77 -165.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 80' ' ' CYS . . . 74.41 37.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 101' ' ' PHE . 3.5 tp -59.72 171.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.449 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -152.39 153.22 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -10.57 21.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.68 34.12 4.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG23 ' CG ' ' A' ' 55' ' ' MET . 0.9 OUTLIER -149.01 -36.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' HB3' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.94 -12.17 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -21.4 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 56' ' ' ASP . 11.5 mt -68.79 -45.34 71.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.628 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 21.8 m-85 -84.04 -19.3 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -35.68 65.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 ttt -88.51 -29.62 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -67.13 -35.95 80.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.49 0.32 72.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.7 tp -99.71 10.91 40.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.628 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.08 -34.19 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -63.0 -21.47 66.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.734 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.92 -17.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.371 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.659 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 19.0 mm -111.33 -12.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.494 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 31.57 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.624 ' CD2' HG11 ' A' ' 79' ' ' VAL . 1.3 t80 -102.45 168.88 9.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -136.64 -148.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.9 ' O ' ' N ' ' A' ' 105' ' ' GLU . 25.8 mt-30 -145.73 85.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.756 ' O ' ' N ' ' A' ' 107' ' ' GLN . 34.0 t 48.69 -62.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.9 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.6 OUTLIER -33.76 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.7 tt0 -63.7 -8.76 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.756 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 pp0? -35.65 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.4 -48.78 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -63.35 -21.74 66.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 112' ' ' LEU . 22.0 mt -47.46 -45.55 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.9 OUTLIER -58.19 -0.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.495 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 101.43 17.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 51.71 18.42 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 2.7 t -149.27 79.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.542 ' HB1' ' CG2' ' A' ' 111' ' ' THR . . . 160.73 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.458 ' O ' ' O ' ' A' ' 2' ' ' LEU . 15.3 m . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.046 -0.354 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.856 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 21.6 tp 59.86 138.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.842 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -107.65 -142.96 10.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.671 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 169.05 139.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.483 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -152.62 141.0 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -137.36 139.18 40.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.51 157.09 44.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.7 147.63 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.683 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -156.3 106.85 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.609 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 64.88 -27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.683 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 158.52 -5.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.627 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.5 p -85.61 123.98 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.629 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.27 101.28 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.7 OUTLIER -73.61 130.88 40.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.299 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.4 mp -121.69 97.11 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.179 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -94.4 105.88 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -100.27 129.35 46.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.842 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.76 113.83 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.856 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 157.18 -118.46 0.84 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.47 161.55 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.593 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -118.84 82.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.595 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 7.9 p30 -142.18 175.32 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' N ' ' CB ' ' A' ' 58' ' ' SER . 4.0 p80 -47.11 -26.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -72.67 -53.13 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.563 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 3.4 p -79.38 -29.27 42.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.8 -16.07 63.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -72.23 -51.15 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.411 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -45.61 -47.25 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD12 ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -67.98 -29.23 68.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.75 -42.54 25.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.21 -29.28 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 10.1 tptt -67.87 -8.79 39.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.541 ' CG2' HD12 ' A' ' 29' ' ' LEU . 15.4 t -83.68 -51.81 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.544 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -54.8 -42.09 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -58.81 -43.22 90.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.42 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -77.71 -25.18 49.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.54 -34.14 24.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.404 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -162.63 73.73 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.1 ttpt -71.51 -47.22 56.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.1 m-20 165.33 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.6 t70 -78.56 -115.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 2.5 mm -148.69 82.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -78.54 -166.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.735 ' CD2' ' CD2' ' A' ' 112' ' ' LEU . 48.0 m-70 -130.93 159.03 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.68 ' C ' ' CD1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.39 157.71 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.83 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -158.62 84.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -82.6 155.87 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 1.2 p30 -178.19 110.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 ' CA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -105.89 126.03 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.39 -22.71 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.657 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 27.5 t0 -105.1 67.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.565 HD22 ' CB ' ' A' ' 55' ' ' MET . 1.2 tm? -92.09 124.32 36.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.458 ' O ' ' HE2' ' A' ' 55' ' ' MET . 6.5 t -135.22 -88.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 0.8 OUTLIER -62.9 -62.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.975 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.8 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.05 -168.21 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.0 p -89.07 13.17 13.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.593 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -68.15 -47.64 67.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.538 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -86.95 -8.48 75.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.75 -42.99 58.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.03 -34.3 27.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.449 HG11 ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.92 -23.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -35.04 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.509 ' CD2' HG22 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -71.14 -40.37 71.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -23.34 68.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.604 ' O ' ' N ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -86.5 -50.12 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.2 t80 -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -75.74 -29.86 59.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -75.9 -50.53 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.562 ' CD1' ' CG2' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -54.32 -43.01 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -75.19 -20.47 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -71.37 -20.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 70' ' ' ILE . 4.0 mt -77.76 -41.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.45 34.6 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -127.17 -140.14 5.1 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 112' ' ' LEU . 10.9 mm-40 -142.15 146.62 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.713 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -117.84 122.3 43.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.645 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 22.0 t -128.61 148.2 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 101' ' ' PHE . 5.1 p -147.12 134.6 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.599 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 8.0 p -124.05 -165.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 80' ' ' CYS . . . 74.96 56.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 101' ' ' PHE . 1.1 tp -83.83 176.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.76 156.13 11.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.03 9.46 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -135.24 24.26 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.496 ' CG2' ' CE ' ' A' ' 55' ' ' MET . 9.1 t -135.09 -38.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.53 -14.2 62.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.231 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.36 -26.24 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.58 -44.3 91.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 24.7 m-85 -87.65 -21.31 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -34.88 68.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.4 ttm -83.83 -34.47 24.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -66.18 -35.05 79.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.62 8.35 86.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -106.72 10.01 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.1 -33.61 12.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -63.12 -22.44 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.735 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.41 -13.6 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.673 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.4 mm -115.07 -12.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 2.2 ttt85 31.57 83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 82' ' ' ILE . 1.8 t80 -101.81 172.96 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.25 -142.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.883 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -153.41 91.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' ' 107' ' ' GLN . 14.3 t 48.38 -65.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.919 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.3 tt0 -34.22 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 109' ' ' LEU . 3.2 tt0 -64.64 -8.93 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.767 ' N ' ' O ' ' A' ' 104' ' ' SER . 20.7 tt0 -38.11 -29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.87 -40.18 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -66.85 -29.13 68.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.645 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 99.3 mt -47.99 -43.19 29.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.725 ' O ' ' CD2' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -56.96 -3.38 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.477 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.735 ' CD2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.9 20.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 109' ' ' LEU . . . 69.7 1.23 29.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.548 ' CG1' ' H ' ' A' ' 115' ' ' ALA . 5.1 t -123.81 -138.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.548 ' H ' ' CG1' ' A' ' 114' ' ' VAL . . . 34.01 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 114' ' ' VAL . 4.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.048 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.485 ' O ' ' C ' ' A' ' 2' ' ' LEU . 68.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.735 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -33.11 137.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.791 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.47 -151.65 21.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.598 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 171.48 141.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -154.21 143.97 21.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.0 mtm -135.4 143.38 45.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.368 1.042 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.906 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.82 169.97 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -136.78 142.97 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.71 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -149.57 104.07 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.7 tt0 63.17 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.41 -3.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' A' ' 44' ' ' HIS . 7.9 p -95.19 119.05 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.906 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.96 109.65 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.6 OUTLIER -75.47 127.5 33.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.2 mp -113.46 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -89.5 109.83 20.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 3' ' ' GLY . 0.4 OUTLIER -113.46 134.48 54.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -124.72 114.85 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.735 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 159.88 -121.82 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' O ' ' OG1' ' A' ' 25' ' ' THR . 1.6 mt-10 -123.7 159.79 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB3' ' HE2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -118.83 94.39 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.566 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -139.86 172.85 12.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.692 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -57.53 -15.57 7.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.692 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 57.7 m-70 -97.31 -38.58 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -82.72 -31.11 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -70.32 -32.99 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -54.96 -51.7 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.406 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -44.27 -47.55 9.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 4.9 tp -68.05 -30.34 69.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -44.87 -44.09 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.558 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.18 -32.29 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 3.9 tptt -70.78 -17.36 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 2.6 t -86.82 -47.04 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.558 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 9.1 t -43.91 -31.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 14.2 mt-30 -68.02 -46.49 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -25.09 41.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -54.43 -32.96 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -161.09 68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 5.2 ptmt -73.28 -47.43 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.3 m-20 175.66 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -75.88 -116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.573 ' CD1' ' CG2' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -146.68 87.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -84.24 -167.15 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.66 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 41.5 m-70 -126.59 157.56 38.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.815 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.18 161.24 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.859 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -158.61 84.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mt -84.62 153.65 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 2.1 p30 -179.36 108.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.28 116.47 31.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 -20.78 26.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.8 t0 -103.55 66.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.6 ' CD2' ' CB ' ' A' ' 55' ' ' MET . 3.3 tm? -86.88 109.03 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -112.34 -86.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CD2' ' CG ' ' A' ' 22' ' ' ASP . 60.7 t80 -69.99 -78.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.85 ' HE2' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 46.85 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.566 ' O ' ' HE1' ' A' ' 55' ' ' MET . 10.1 t0 -117.32 -151.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -91.19 28.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.57 -38.41 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.09 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -103.27 -10.91 35.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.54 -55.07 14.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.29 -31.3 69.35 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.437 HG21 ' CE ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -68.15 -21.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.4 -37.89 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 1.8 tt -72.22 -37.46 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.25 -12.11 65.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.494 ' CD ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.24 -41.79 8.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' ' CG ' ' A' ' 77' ' ' MET . 1.8 t80 -44.96 -42.66 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.56 -27.2 58.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -75.02 -45.07 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.248 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.61 HG22 ' N ' ' A' ' 77' ' ' MET . 7.2 tp -58.15 -37.55 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' N ' HG21 ' A' ' 70' ' ' ILE . 1.2 mtmt -74.31 -24.86 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -21.3 44.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.573 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 6.4 mt -82.19 -36.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 42' ' ' ILE . . . 122.03 23.59 2.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -133.57 -141.55 4.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -158.32 158.05 33.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 0.719 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.815 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.3 ppp? -120.32 133.68 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.674 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 65.5 t -127.2 135.51 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.594 ' CG2' ' CZ ' ' A' ' 101' ' ' PHE . 3.0 p -133.08 128.47 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 110' ' ' LEU . 31.3 p -131.18 -170.45 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 74.18 30.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.623 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 5.3 tp -59.32 -147.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.541 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.63 165.53 0.89 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 18.3 Cg_endo -75.02 -8.13 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.76 29.98 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 52' ' ' LEU . 1.7 t -142.07 -37.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -70.32 -13.75 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -26.23 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -60.66 -46.84 88.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.8 m-85 -84.61 -22.68 29.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -34.0 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 mtp -76.51 -42.08 44.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -49.6 65.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.92 -6.06 59.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.15 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.538 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.0 tp -87.04 9.19 20.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.48 -33.33 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -22.63 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.649 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.87 -9.63 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.612 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 46.3 mm -116.39 -14.05 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 30.47 87.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CE1' ' CD1' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -103.94 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -151.24 -146.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.858 ' O ' ' N ' ' A' ' 105' ' ' GLU . 91.0 mt-30 -157.0 95.35 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.769 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.9 t 50.76 -63.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.858 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.9 tt0 -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.553 ' O ' ' N ' ' A' ' 108' ' ' ALA . 3.7 tt0 -66.59 -7.44 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -34.6 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.44 -51.41 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -64.19 -21.57 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.545 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.56 -42.19 64.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.688 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -57.12 -4.74 0.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.688 ' HB3' ' O ' ' A' ' 111' ' ' THR . 1.3 tt 97.93 26.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.1 17.02 50.82 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.567 ' CG2' ' CD2' ' A' ' 112' ' ' LEU . 2.3 t -112.23 -144.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 114' ' ' VAL . . . 34.5 36.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 114' ' ' VAL . 1.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.807 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -83.56 140.17 32.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.853 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -100.01 -157.25 28.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.557 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 178.74 130.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -142.0 141.13 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.548 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -137.69 134.82 35.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.596 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.38 166.36 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.652 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -132.67 143.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.719 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.89 104.92 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 63.28 -28.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.719 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.35 -3.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 8.1 p -88.27 122.47 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.212 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.739 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.63 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.588 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.58 144.86 47.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.0 mm -134.67 90.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -92.03 106.55 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.27 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 3' ' ' GLY . 0.2 OUTLIER -103.46 127.33 50.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.72 113.87 17.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.807 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.66 -116.66 0.74 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.7 161.19 24.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.734 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.592 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -118.63 91.9 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.54 170.68 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -74.29 -49.42 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 1.2 p -81.77 -30.51 32.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -62.4 -14.2 37.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.99 -47.81 67.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.519 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -42.79 -43.67 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.35 -30.5 60.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tptt -51.11 -47.14 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.775 ' O ' HG21 ' A' ' 34' ' ' THR . 11.8 pt20 -67.92 -33.36 74.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 42.1 tptt -68.34 -14.46 63.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 29' ' ' LEU . 41.6 t -63.99 -62.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.775 HG21 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -49.33 -39.79 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.567 ' NE2' ' CG2' ' A' ' 34' ' ' THR . 12.9 mm-40 -62.58 -46.09 89.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -25.57 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 mt -47.91 -41.32 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.28 78.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.23 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.19 -47.23 62.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 8.1 m-20 176.5 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 39.4 t0 -79.16 -107.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 73' ' ' ILE . 1.9 mm -151.63 87.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.599 ' CB ' ' O ' ' A' ' 11' ' ' SER . 1.8 mtm-85 -81.14 -166.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.739 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.7 m-70 -130.99 159.83 36.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.6 159.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.886 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -157.91 82.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 110' ' ' LEU . 1.2 mp -82.58 154.08 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.521 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.4 t30 -177.7 107.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.06 121.82 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -22.62 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.711 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.4 t0 -104.03 65.93 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -93.62 126.75 38.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.415 ' O ' ' HE2' ' A' ' 55' ' ' MET . 5.4 t -137.31 -88.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.548 ' O ' ' HE2' ' A' ' 55' ' ' MET . 0.7 OUTLIER -60.27 -65.66 0.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.944 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.876 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 40.04 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' CE1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -104.24 -159.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -97.01 22.51 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.592 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 1.3 m -77.82 -59.06 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -73.92 -18.51 79.64 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.587 1.179 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.64 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.52 -44.04 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.47 -32.62 30.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.497 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.78 -21.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.231 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.94 -35.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.587 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -71.17 -45.8 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' HA3' ' NH2' ' A' ' 66' ' ' ARG . . . -64.2 -14.98 58.04 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.735 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -100.04 -44.69 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.704 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -42.01 -35.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.531 ' CD ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -77.09 -37.72 53.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -70.03 -49.97 45.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CG2' ' CG ' ' A' ' 77' ' ' MET . 7.3 tp -54.93 -32.44 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' CG ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -76.65 -36.61 57.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -12.7 16.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 3.1 mm -78.87 -36.32 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 42' ' ' ILE . . . 113.04 39.74 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -132.68 -141.33 4.61 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -149.99 150.97 32.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.663 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.75 126.33 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 59.2 t -131.38 130.91 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.583 HG21 ' CE2' ' A' ' 101' ' ' PHE . 7.6 p -138.0 134.63 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 26.6 p -125.83 -167.18 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.69 48.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 101' ' ' PHE . 3.7 tp -73.36 170.43 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.48 156.72 30.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -0.78 10.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -134.74 29.29 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 HD22 ' A' ' 52' ' ' LEU . 8.3 t -142.22 -38.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.61 -10.94 60.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -70.96 -15.69 62.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.2 mt -74.33 -45.27 48.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.644 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 39.3 m-85 -85.06 -20.39 30.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -34.66 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 mtp -89.78 -27.82 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -66.72 -26.87 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.39 15.7 59.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.554 ' CD2' ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.2 11.57 10.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -44.64 -27.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -63.11 -23.41 67.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.704 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -85.34 -5.94 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.659 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 36.7 mm -114.63 -15.77 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.62 81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 79' ' ' VAL . 1.4 t80 -105.68 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -137.81 -147.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 13.1 mt-30 -150.34 90.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 32.5 t 47.34 -65.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -33.18 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.2 tt0 -61.61 -10.68 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.5 pt20 -34.18 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.11 -51.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -62.14 -20.62 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -48.89 -44.13 39.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.628 1.205 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -54.83 -5.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.698 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.2 tt 96.29 28.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.72 27.05 0.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 6.7 t -136.88 70.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 158.95 98.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.9 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 2' ' ' LEU . 41.0 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.825 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 2.2 tp -34.21 135.74 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.817 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -110.59 -152.57 13.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 176.19 135.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.546 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -145.51 141.59 28.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 88.6 mtp -135.09 137.94 43.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.7 OUTLIER -143.71 151.98 40.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -122.68 136.01 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.703 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -141.42 106.06 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.574 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.0 tt0 64.02 -27.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.703 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.27 -5.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.631 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 11.3 p -86.12 122.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.49 101.52 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.36 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.665 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -76.08 129.55 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.5 mp -120.79 97.25 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -92.38 100.0 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 29' ' ' LEU . 1.2 mm? -92.87 129.42 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.817 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -127.75 113.78 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.5 -118.56 0.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -124.34 163.89 20.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.617 ' C ' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -125.47 86.05 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -132.35 171.28 13.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.685 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.6 p80 -53.85 -16.94 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.685 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 56.4 m-70 -96.1 -40.85 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -83.69 -18.25 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.0 -34.97 64.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -45.04 -50.03 11.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.02 -44.11 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.519 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.04 -29.77 60.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.53 -46.44 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.233 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.545 ' O ' ' CG2' ' A' ' 34' ' ' THR . 13.2 pt20 -71.5 -35.04 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 11.5 tptt -72.24 -11.75 60.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 79.0 t -86.16 -52.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -47.47 -37.25 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.1 pp0? -56.73 -36.91 70.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -78.43 -30.14 47.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -45.18 -36.84 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 24.0 mt-10 -162.74 75.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.19 -49.37 44.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.7 m-20 161.44 -90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 23.5 t70 -77.06 -114.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.559 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.8 mm -150.11 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' SER . 2.0 mpt_? -80.56 -165.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.629 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 44.2 m-70 -134.43 159.0 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.714 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.27 160.0 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.851 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.3 t -157.68 81.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.387 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD22 ' CE ' ' A' ' 77' ' ' MET . 1.5 mm? -80.68 153.13 28.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -179.91 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.72 120.06 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -22.3 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 17.1 t70 -117.72 64.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.626 ' CD1' ' HB3' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.32 114.67 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.1 t -125.75 -93.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.897 ' O ' ' HE1' ' A' ' 55' ' ' MET . 58.0 t80 -47.74 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.897 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 36.59 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.944 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.27 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 p -91.09 28.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.454 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.9 m -98.6 -23.39 15.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -128.15 -2.05 6.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -51.33 -48.72 62.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.16 -42.21 81.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -21.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.793 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.1 mm -78.44 -35.53 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 98' ' ' ILE . 1.1 tp -76.48 -15.83 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.44 -26.72 56.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HG ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.86 -32.84 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.217 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 4.6 t80 -62.83 -46.89 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 2.4 mmmt -81.39 0.88 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.652 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -92.97 -34.9 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.444 HD11 ' CG2' ' A' ' 45' ' ' ILE . 7.4 tp -93.92 -27.07 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -78.07 -30.19 49.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.525 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 2.6 tt0 -69.24 -27.55 65.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.652 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -77.96 -28.84 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 18.11 6.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -105.98 -134.11 7.71 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -154.21 153.26 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.686 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 6.7 tpt -113.34 128.74 56.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.58 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 44.4 t -128.09 149.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 2.2 t -151.86 139.6 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.607 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 19.2 p -146.63 -168.87 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 80' ' ' CYS . . . 81.07 23.61 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.663 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 tp -70.03 -167.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -163.03 174.06 3.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.2 Cg_endo -75.0 -10.74 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -127.5 22.26 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.572 ' CG2' ' SD ' ' A' ' 55' ' ' MET . 3.5 t -136.03 -35.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 96' ' ' PHE . 17.9 ttpt -71.87 -14.61 62.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.39 -26.28 67.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.58 -45.96 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.692 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 32.8 m-85 -87.23 -27.09 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -33.7 74.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.085 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.1 ttm -82.56 -35.54 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -54.79 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.01 65.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 HD13 ' CG2' ' A' ' 98' ' ' ILE . 6.9 tp -84.59 12.48 6.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 0.756 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.692 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.37 -22.55 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -63.47 -26.65 68.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.798 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -99.26 11.72 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.491 ' O ' ' C ' ' A' ' 100' ' ' ARG . 7.4 mm -124.93 -18.71 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.491 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER 31.24 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.663 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -111.26 171.64 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.463 ' HB3' ' HB3' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.69 -147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.892 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.6 mt-30 -149.08 88.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.826 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.2 t 48.2 -62.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.892 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.1 tt0 -33.82 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 108' ' ' ALA . 9.3 tt0 -68.42 -5.66 20.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 104' ' ' SER . 28.7 tt0 -32.61 -31.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.94 -51.63 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.9 OUTLIER -65.13 -18.7 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -56.45 -37.5 70.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.691 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -56.2 -5.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.691 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.6 tt 98.16 26.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.438 ' CA ' HD21 ' A' ' 109' ' ' LEU . . . 42.42 26.63 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.551 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 38.3 t -142.39 68.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 159.25 95.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.694 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.3 OUTLIER -162.52 141.98 9.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.823 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -86.0 -157.83 29.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 177.95 133.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.537 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -149.15 141.63 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -136.46 138.62 41.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.743 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -143.44 142.2 31.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -111.4 136.61 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.694 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -139.87 104.09 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.588 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.5 tt0 64.03 -29.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.694 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 163.95 -3.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.639 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.4 p -88.25 119.37 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' CD1' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -92.6 97.73 10.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.743 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -69.86 139.6 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.35 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.532 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -129.02 102.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -102.22 99.64 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' A' ' 4' ' ' ILE . 6.2 mt -100.04 131.21 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.823 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -128.05 115.46 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.383 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.694 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.65 -119.59 0.92 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -123.04 157.91 31.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.5 OUTLIER -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -160.57 170.87 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -44.03 -26.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.534 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ASP . 9.5 m80 -75.11 -55.36 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.551 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -79.61 -29.01 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -69.11 -14.77 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -76.2 -49.99 15.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -48.63 -44.48 37.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 110.491 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.518 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 2.5 tm? -71.45 -25.66 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.94 -44.1 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.529 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -76.11 -33.85 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 2.6 tptt -69.98 -8.15 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 81.0 t -85.62 -51.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.49 -40.08 65.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.583 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 2.8 pp0? -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.429 ' N ' ' CD ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.69 -24.27 45.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.955 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -50.49 -36.08 32.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.388 1.055 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 40.1 mt-10 -161.66 73.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.79 -45.55 61.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.6 m-20 177.25 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.75 -143.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.659 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -109.99 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.594 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.49 -166.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.648 ' CE1' HD23 ' A' ' 112' ' ' LEU . 26.6 m-70 -133.17 156.82 46.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 0.0 109.67 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.871 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.24 155.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.836 ' CG2' ' HA ' ' A' ' 111' ' ' THR . 1.4 t -158.94 85.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -82.69 152.74 25.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' CG ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -175.12 107.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -105.67 123.02 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -21.96 17.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 44.1 t0 -120.86 66.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.528 HD13 ' CB ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -99.42 104.66 16.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.9 t -124.3 -87.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.769 ' O ' ' HE1' ' A' ' 55' ' ' MET . 1.0 OUTLIER -46.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.769 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 35.43 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -94.08 -154.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 p -92.76 17.91 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.572 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -81.63 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.503 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -72.96 -16.98 78.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.643 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.77 -44.12 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.44 -32.45 34.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.29 -24.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -89.28 -35.62 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 98' ' ' ILE . 2.4 tp -67.27 -43.2 82.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 69' ' ' GLN . . . -56.46 -21.16 33.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.903 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -90.66 -47.36 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 0.795 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.776 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 3.1 t80 -40.92 -26.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 6.7 mmmt -108.96 -25.45 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.563 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 3.0 tp-100 -96.58 -13.5 22.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.903 ' N ' ' O ' ' A' ' 66' ' ' ARG . 8.6 tp -98.46 -30.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -76.84 -23.55 52.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -75.65 -31.91 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 110.223 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.563 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -133.47 32.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.585 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -146.56 14.7 1.6 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 65.41 -63.0 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.541 ' O ' HD13 ' A' ' 112' ' ' LEU . 2.3 mm-40 -151.99 151.43 31.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 0.712 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.871 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.58 120.34 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.682 ' H ' ' CG1' ' A' ' 45' ' ' ILE . 57.7 t -128.3 149.06 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.707 ' CG2' ' CE2' ' A' ' 101' ' ' PHE . 2.2 p -145.36 138.33 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 47' ' ' LEU . 27.6 p -128.3 -174.15 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 67.6 80.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 101' ' ' PHE . 5.9 tp -112.66 169.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 162.86 25.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -0.98 10.62 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' HG21 ' A' ' 86' ' ' VAL . . . -131.25 33.89 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 52' ' ' LEU . 3.1 t -147.45 -36.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -78.74 -4.68 50.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.521 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -79.06 -17.57 55.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.521 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -69.7 -45.58 67.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.694 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 26.6 m-85 -82.81 -22.67 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.89 78.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.2 ttp -82.63 -31.94 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -67.53 -56.36 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.68 54.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.507 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 7.5 tp -88.91 12.84 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 0.733 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -54.39 -24.24 18.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -26.73 68.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.776 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -99.48 12.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 100' ' ' ARG . 9.2 mm -125.15 -23.95 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.593 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 21.86 83.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.707 ' CE2' ' CG2' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.08 -177.34 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.616 ' O ' ' CD ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER 72.39 134.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.616 ' CD ' ' O ' ' A' ' 102' ' ' GLU . 13.6 mm-40 -161.23 -52.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t 50.16 -85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 103' ' ' GLN . 12.8 tt0 -74.47 -25.42 59.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' ALA . 8.2 tt0 -74.08 -6.24 46.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLN . 11.0 pt20 -35.44 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.25 -57.5 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.43 HD21 ' CA ' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -59.15 -15.35 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 1.19 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.613 ' CD1' HG13 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -63.6 -26.43 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.836 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -56.79 -5.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.426 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.648 HD23 ' CE1' ' A' ' 44' ' ' HIS . 9.2 tt 98.98 26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.43 ' CA ' HD21 ' A' ' 109' ' ' LEU . . . 45.57 29.76 2.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 20.9 t -126.88 67.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 169.49 93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.653 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 2.9 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.771 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.3 OUTLIER 151.57 141.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.891 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -118.16 -173.42 16.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.604 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -177.29 131.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.604 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -142.58 141.56 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.3 mtt -133.75 134.21 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.576 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.43 161.93 35.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.678 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -128.58 135.83 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.717 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -138.28 105.47 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.4 tt0 63.19 -28.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 163.36 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 9.3 p -88.0 126.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.3 100.66 12.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -72.82 139.82 47.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.5 mp -130.58 97.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -95.77 102.51 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.209 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' A' ' 28' ' ' THR . 0.4 OUTLIER -100.77 130.41 46.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.891 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -130.12 112.56 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.771 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 152.59 -114.0 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.32 159.14 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.28 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.68 ' HB3' ' HA ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -122.09 82.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.646 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -136.27 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.761 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -51.49 -18.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.65 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.761 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.7 m-70 -87.06 -46.17 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.654 ' OG1' ' HA ' ' A' ' 21' ' ' LEU . 3.7 p -79.56 -34.45 40.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 22' ' ' ASP . . . -58.52 -26.57 63.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.81 -52.75 38.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.493 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -45.5 -42.83 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.41 -30.11 64.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.94 -46.64 68.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.549 ' O ' ' CG2' ' A' ' 34' ' ' THR . 16.6 pt20 -73.21 -34.24 65.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.261 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 23.1 tptt -67.99 -9.56 46.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 57.9 t -83.63 -51.0 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.549 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -55.2 -41.94 72.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -59.64 -43.67 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.08 -23.13 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.45 -32.27 26.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -160.61 74.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' CE ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.8 -41.31 68.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.566 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 2.6 m-20 156.24 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 16.6 t70 -83.72 -107.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.562 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 1.1 mm -147.01 125.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -116.3 -167.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.731 ' N ' ' O ' ' A' ' 11' ' ' SER . 32.4 m-70 -133.83 159.76 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.696 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -99.3 155.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.82 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -158.66 84.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' H ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.79 153.5 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 1.7 p30 -179.4 102.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -103.21 126.15 50.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.76 -22.71 15.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.244 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 62.8 t0 -122.4 66.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.593 ' CD1' ' CB ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -95.78 111.22 23.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -125.2 -93.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.846 ' O ' ' HE1' ' A' ' 55' ' ' MET . 48.4 t80 -41.4 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.846 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 34.3 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.92 -152.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -95.17 29.55 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.45 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -92.1 -50.5 5.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.402 1.064 . . . . 0.0 109.984 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -98.46 -9.44 53.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -50.64 -44.27 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.22 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.05 -35.05 45.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -23.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -89.09 -34.58 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.635 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -67.21 -45.25 77.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.04 -21.69 39.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.865 ' O ' ' N ' ' A' ' 70' ' ' ILE . 1.6 ttp85 -88.91 -50.2 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 0.781 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.739 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -39.33 -32.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -87.31 -40.43 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.576 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 23.6 tp60 -85.08 -17.11 38.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.865 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.1 tp -97.38 -9.59 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' CG ' ' CG ' ' A' ' 77' ' ' MET . 9.7 mtpt -80.78 -54.86 5.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.58 -16.68 50.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.68 ' CG2' ' HA ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -109.98 -51.91 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -74.98 -1.25 62.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 62.42 -57.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 74' ' ' GLY . 16.6 mm-40 -125.65 151.41 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.593 ' CG ' ' CG ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -106.16 126.48 52.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.634 ' HB ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -126.8 157.57 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.658 HG11 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -174.23 119.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 110' ' ' LEU . 30.0 p -119.95 -166.69 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 69.91 51.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.626 HD11 ' CE1' ' A' ' 101' ' ' PHE . 5.4 tp -79.68 169.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.91 154.06 25.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.98 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.31 27.27 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' CG2' ' SD ' ' A' ' 55' ' ' MET . 3.0 t -141.29 -35.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 4.4 pttt -70.99 -12.79 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -24.07 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 55' ' ' MET . 1.2 mt -65.76 -45.42 82.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.667 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 46.2 m-85 -85.4 -19.79 30.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.21 -34.52 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -36.49 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -66.04 -25.38 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.79 5.86 40.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.595 1.184 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.513 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.6 tp -103.83 10.85 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -46.66 -33.15 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.28 -22.49 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.739 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.99 -7.83 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.676 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 31.1 mm -114.91 -16.77 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.35 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.658 ' CD2' HG11 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -103.42 168.88 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -134.81 -145.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.933 ' O ' ' N ' ' A' ' 105' ' ' GLU . 78.8 mt-30 -148.2 86.61 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.8 t 46.6 -63.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -33.59 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.8 tt0 -61.57 -11.93 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.4 pt20 -33.43 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.88 -53.23 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -59.45 -23.29 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.573 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 18.4 mt -44.23 -44.7 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.73 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.45 -10.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.408 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.747 HD11 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.11 23.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.537 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 44.17 52.76 6.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.046 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.605 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.9 OUTLIER 173.85 88.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 161.19 94.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.679 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 2.5 tp -145.82 139.17 26.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -98.91 -163.47 29.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.491 HD11 ' N ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER 176.49 138.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -150.95 142.01 23.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 41.0 mtp -129.54 134.87 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -141.06 141.63 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -112.63 138.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.715 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -142.76 104.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.6 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.47 -25.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.715 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.52 -5.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.037 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.631 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.3 p -85.34 123.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 98.21 10.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.8 OUTLIER -73.71 129.8 38.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.3 mp -119.01 95.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -101.25 106.19 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD13 ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -118.98 136.61 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -122.01 118.81 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 164.86 -127.12 1.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -121.08 155.29 34.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 0.724 . . . . 0.0 110.239 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 13.1 mt -111.96 90.32 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -144.1 166.9 23.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.443 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.8 p80 -43.02 -28.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -74.11 -52.92 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.66 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.608 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 1.3 p -79.75 -29.19 40.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.11 -19.0 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -71.1 -46.83 61.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 79.6 m -49.4 -54.41 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.897 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -65.0 -15.96 62.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' CA ' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.549 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.6 OUTLIER -68.34 -40.82 81.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.897 ' CG ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.8 -11.92 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.2 t -72.39 -57.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.549 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.35 -39.64 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.572 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.5 mt-30 -63.84 -46.12 86.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.78 -24.11 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -53.17 -33.27 51.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -163.81 73.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.226 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -73.16 -47.71 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.3 m-20 172.49 -94.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -81.81 -143.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.686 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -114.87 92.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 1.9 mpt_? -86.11 -166.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 34.3 m-70 -130.66 158.11 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.718 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -105.22 156.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.219 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.789 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.5 t -160.42 84.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 18.6 mt -85.89 154.84 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.526 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -175.7 110.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.48 121.81 39.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -22.56 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 21.8 t70 -123.76 66.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.572 HD13 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -91.2 109.04 20.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 t -128.5 -88.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.07 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.872 ' O ' ' HE1' ' A' ' 55' ' ' MET . 68.7 t80 -46.64 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.872 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 35.82 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.185 . . . . 0.0 111.007 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.79 -148.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -95.08 24.05 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.443 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -88.25 -59.02 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.509 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -82.65 -16.8 69.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.605 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.09 -44.29 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.41 -33.01 32.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -24.05 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.94 -35.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.527 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -59.78 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -60.41 -36.0 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.841 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -69.2 -40.37 78.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 0.788 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.4 t80 -48.37 -40.99 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.059 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -87.26 -28.0 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 1.0 OUTLIER -90.23 -8.27 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.841 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 tp -99.39 -40.98 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' CD ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -68.99 -24.98 64.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.54 ' CG ' HG13 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.62 -35.08 70.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.54 HG13 ' CG ' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -134.02 36.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.645 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -145.36 8.93 1.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 65.56 -62.04 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' GLY . 4.7 mm-40 -143.95 147.1 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.718 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.58 124.95 53.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.657 ' H ' ' CD1' ' A' ' 45' ' ' ILE . 16.9 t -133.31 154.66 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' CG1' ' CD2' ' A' ' 101' ' ' PHE . 14.5 p -154.31 131.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.457 ' SG ' ' CD2' ' A' ' 110' ' ' LEU . 19.2 p -133.35 -171.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.39 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.94 44.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.625 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 4.2 tp -80.66 -145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.524 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 0.1 OUTLIER 176.18 162.7 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.6 20.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.13 19.49 6.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 52' ' ' LEU . 2.8 t -130.44 -36.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -11.78 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -27.28 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 25.1 m-85 -86.52 -23.85 25.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -34.44 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 56.5 mtp -85.24 -32.9 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -29.54 68.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.04 15.34 74.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.539 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 tp -115.85 10.56 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.65 -35.83 14.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -60.69 -23.22 64.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.741 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.59 -8.79 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.622 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 25.6 mm -118.98 -14.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.537 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER 33.22 89.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.597 1.186 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.67 ' CD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -106.75 176.53 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -147.5 -147.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 95.7 mt-30 -153.28 93.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.792 ' O ' ' N ' ' A' ' 107' ' ' GLN . 16.9 t 49.16 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.962 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -34.6 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.601 ' CD ' ' CG1' ' A' ' 78' ' ' VAL . 7.3 tt0 -66.39 -10.43 43.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -34.56 -30.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.5 -53.96 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -63.09 -19.16 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.622 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 65.0 tp -59.04 -38.81 80.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.744 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.8 -7.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.76 HD11 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.52 23.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.072 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' CG2' ' A' ' 114' ' ' VAL . . . 44.23 49.28 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.647 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 1.1 t 177.71 85.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.647 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 152.18 96.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 -179.933 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.731 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 7.7 tt 74.77 137.06 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.856 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -123.93 -151.62 8.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 174.98 142.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.486 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -151.12 142.4 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.704 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -135.24 133.39 38.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.692 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -137.49 149.97 47.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.49 137.55 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.708 ' C ' ' H ' ' A' ' 11' ' ' SER . 2.3 mtmt -143.11 105.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.619 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.1 tt0 63.29 -28.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 160.42 1.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.653 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 8.7 p -96.0 120.21 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.678 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -92.14 101.35 13.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.704 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -72.86 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.4 mp -114.89 94.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -92.61 97.55 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.7 133.53 35.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.33 113.8 16.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.731 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 160.53 -121.94 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.402 1.064 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.75 163.67 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 0.723 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -117.84 81.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.636 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 14.6 p30 -142.13 172.45 12.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.801 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -48.89 -25.08 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.609 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.801 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.0 m-70 -77.7 -48.4 16.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.656 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 12.1 p -77.59 -36.62 51.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB3' ' CA ' ' A' ' 59' ' ' GLY . . . -57.2 -21.54 34.24 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -54.66 -50.22 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -44.59 -45.05 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 63' ' ' ILE . 4.2 tp -72.4 -28.51 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.29 -44.71 61.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.563 ' O ' ' CG2' ' A' ' 34' ' ' THR . 15.1 pt20 -74.57 -36.54 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 19.7 tptt -52.78 -19.43 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 58.5 t -59.48 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -55.66 -40.63 72.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' C ' ' A' ' 31' ' ' GLN . 13.5 mt-30 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.51 -26.03 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.9 OUTLIER -48.53 -36.27 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -160.28 78.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -67.59 -51.49 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 153.43 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.6 -144.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.606 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -130.09 77.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.714 ' CB ' ' O ' ' A' ' 11' ' ' SER . 9.6 mtm-85 -81.17 -162.86 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.783 ' N ' ' O ' ' A' ' 11' ' ' SER . 66.0 m-70 -127.97 161.77 28.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.742 HG13 ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.07 155.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.818 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.4 t -160.33 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 1.5 mm? -81.93 153.59 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.41 107.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.84 121.17 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -21.88 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.707 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -104.24 68.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD22 ' CB ' ' A' ' 55' ' ' MET . 1.1 tm? -94.93 124.77 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.434 ' O ' ' HE2' ' A' ' 55' ' ' MET . 3.0 t -135.02 -89.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 22' ' ' ASP . 57.3 t80 -58.24 -67.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.93 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.86 93.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -120.41 -153.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.2 p -99.73 33.2 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -90.83 -48.84 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.937 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -96.44 -3.66 59.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.02 -44.03 51.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.36 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.79 -32.63 40.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -64.5 -24.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.4 0.706 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.8 -35.01 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.227 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.512 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -64.64 -45.89 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.63 77.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.517 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -86.74 -28.25 23.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 4.0 t80 -56.38 -49.75 73.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 5.8 mmmm -74.04 -35.1 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.39 -26.04 62.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.222 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.531 ' O ' ' HA3' ' A' ' 74' ' ' GLY . 7.9 tp -95.21 -30.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.692 ' HB3' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -76.71 -37.48 56.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -56.02 -37.84 69.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.594 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -118.82 19.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.531 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -126.96 5.58 7.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.28 -57.98 0.17 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 74' ' ' GLY . 8.0 mm-40 -138.45 147.43 43.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.742 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.38 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 111.041 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.669 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 13.8 t -130.28 156.4 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.7 t -149.12 136.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 48' ' ' ASN . 30.0 p -137.51 -171.58 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.263 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 49' ' ' LEU . . . 73.46 32.6 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.67 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -70.49 -158.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.527 ' N ' HG22 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -174.36 163.39 2.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' CZ ' ' A' ' 88' ' ' ARG . . . -137.37 26.8 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.535 HG23 HD22 ' A' ' 52' ' ' LEU . 6.5 t -136.17 -37.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -10.9 60.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.27 -23.33 64.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.69 -46.29 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.708 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 14.3 m-85 -86.46 -18.48 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -34.24 70.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.395 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 27.6 ttp -86.6 -34.29 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.9 t -66.54 -44.65 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.76 -11.68 65.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.596 1.185 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -85.04 9.31 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.586 0.815 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.708 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.93 -33.57 7.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.95 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.45 -23.09 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.744 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.62 -9.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.698 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 17.4 mm -118.7 -13.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 32.41 90.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.682 ' CE2' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -117.29 166.57 12.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -144.27 -146.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.863 ' O ' ' N ' ' A' ' 105' ' ' GLU . 67.0 mt-30 -144.49 90.52 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.0 t 50.44 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 110.054 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.863 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -34.82 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.594 ' CD ' ' CG1' ' A' ' 78' ' ' VAL . 4.2 tt0 -67.69 -9.38 43.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.2 pt20 -36.03 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.02 -51.82 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -63.2 -24.14 67.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.669 ' HA ' ' CG1' ' A' ' 78' ' ' VAL . 36.4 tp -54.02 -42.92 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -61.29 0.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.749 HD23 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.17 18.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.432 ' HA3' ' CD2' ' A' ' 109' ' ' LEU . . . 49.1 20.19 1.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.525 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 2.7 t -149.49 77.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 0.766 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 114' ' ' VAL . . . 162.22 95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.764 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -56.19 139.36 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.72 -156.03 30.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 176.64 136.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.502 ' N ' HD11 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -144.77 155.06 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.618 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.9 mtm -147.44 139.45 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -146.88 155.2 42.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -119.12 150.47 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.704 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -158.65 105.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.686 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 64.86 -28.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.704 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 158.07 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.623 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 7.2 p -89.33 120.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.641 ' CD2' ' HA ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -92.01 98.77 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 7' ' ' ASN . 1.5 m -71.0 144.34 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 5' ' ' ASP . 1.3 mp -136.0 103.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -99.28 95.93 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -92.53 132.18 37.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.54 115.99 18.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.764 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.44 -120.48 1.03 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -122.19 160.62 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CB ' ' HA ' ' A' ' 55' ' ' MET . 0.6 OUTLIER -119.59 82.51 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.696 ' CG ' ' CE2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.92 166.51 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.776 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -44.22 -23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.776 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.8 m-70 -79.33 -51.58 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 20' ' ' GLU . 1.9 p -80.68 -28.55 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -67.53 -28.26 67.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.66 -49.66 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.13 -43.18 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.519 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.1 -44.76 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -74.6 -34.67 62.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -69.45 -8.39 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 82.2 t -83.96 -50.55 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -56.26 -41.23 75.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.7 pp0? -59.56 -42.56 92.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -77.62 -24.38 49.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.512 ' CD2' ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.07 -33.58 26.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -163.4 72.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.9 -46.05 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 163.39 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.09 -135.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 1.1 mm -136.23 83.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.66 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.7 mtm-85 -81.5 -165.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.651 ' CE1' ' CD2' ' A' ' 112' ' ' LEU . 54.2 m-70 -128.13 161.73 28.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.67 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.55 156.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.773 HG11 ' O ' ' A' ' 46' ' ' VAL . 1.7 t -157.2 82.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.2 mm? -87.11 151.54 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.771 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 179.95 107.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -99.31 119.91 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -21.57 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 23.8 t70 -119.43 66.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD13 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -94.83 105.42 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 t -123.19 -88.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.882 ' O ' ' HE1' ' A' ' 55' ' ' MET . 69.5 t80 -46.52 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.882 ' HE1' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 37.8 84.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.88 -150.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.4 p -87.8 13.28 10.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.453 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -81.74 -59.4 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.547 ' CA ' ' HB3' ' A' ' 26' ' ' ALA . . . -84.37 -17.3 64.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.613 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -49.73 -45.04 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.64 -32.37 37.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -24.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.56 -34.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' CD2' HG23 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -68.84 -38.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.18 -20.45 58.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -83.8 -44.19 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.28 -46.69 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -76.94 -7.89 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.512 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -93.8 -51.17 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -60.62 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.455 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 3.7 mtpt -75.69 -20.83 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -76.09 -21.13 57.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.524 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -80.53 -46.26 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.65 31.17 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -139.12 5.47 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 45' ' ' ILE . 8.4 mm-40 -138.48 146.97 42.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.667 ' SD ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 125.59 50.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -123.06 158.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.658 HG12 ' CD2' ' A' ' 101' ' ' PHE . 13.3 p -174.82 117.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.554 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 10.8 p -136.81 -171.11 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 49' ' ' LEU . . . 71.58 89.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.698 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -150.47 -156.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.531 ' N ' HG22 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -152.32 167.1 13.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.563 1.823 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.06 22.46 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.607 HG12 ' SD ' ' A' ' 55' ' ' MET . 2.4 t -139.94 -34.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -78.84 -9.83 59.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.37 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.754 ' O ' ' N ' ' A' ' 94' ' ' GLY . 0.2 OUTLIER -63.32 -38.74 92.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.616 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 58.5 m-85 -78.34 -31.93 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -32.66 73.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 tpt -130.24 -58.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.598 ' CA ' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.9 -12.18 16.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . -136.64 -176.36 14.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 1.002 ' O ' ' N ' ' A' ' 98' ' ' ILE . 11.9 tp -102.94 35.68 2.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 0.779 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.648 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -11.08 -46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.876 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.73 -25.95 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 1.002 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.17 -2.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 14.6 mm -114.95 -15.29 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 96' ' ' PHE . 4.4 mmt85 32.16 77.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' ' HB ' ' A' ' 82' ' ' ILE . 1.6 t80 -100.04 166.55 10.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.072 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -144.16 -148.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.831 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.9 mt-30 -149.7 96.22 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.7 t 53.59 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.831 ' N ' ' O ' ' A' ' 103' ' ' GLN . 7.0 tt0 -38.67 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -76.34 -21.83 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.9 pt20 -31.26 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.32 -63.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -61.8 -13.87 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.66 ' O ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -61.43 -37.3 83.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.681 ' O ' ' CB ' ' A' ' 112' ' ' LEU . 94.8 m -58.39 -3.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.78 ' C ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 103.52 18.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 109' ' ' LEU . . . 106.43 61.16 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.4 OUTLIER 55.35 109.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 116' ' ' SER . . . -151.74 76.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.857 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.9 tp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.797 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -102.81 -160.19 25.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.09 133.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.406 0.709 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -144.23 144.24 31.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.694 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.2 mtp -138.81 135.33 34.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.655 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t-20 -143.11 145.29 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -115.36 133.91 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.778 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -137.86 105.9 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 64.5 -26.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.699 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 159.74 -6.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.951 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.869 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.1 p -85.7 120.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.659 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.97 98.32 10.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -73.78 133.61 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.43 97.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -93.08 101.12 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 4' ' ' ILE . 6.3 mt -98.18 133.3 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.797 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -133.5 114.06 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.857 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.95 -118.44 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.1 mt-10 -120.77 158.73 26.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -121.59 83.16 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.593 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.02 168.66 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.738 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -45.75 -22.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.738 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.3 m-70 -80.14 -49.82 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.75 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.5 p -80.72 -31.75 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -65.36 -16.03 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -66.27 -48.4 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.82 -45.75 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -69.87 -27.5 64.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.47 -43.87 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 1.4 pt20 -69.49 -35.76 75.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 29' ' ' LEU . 11.6 tttp -61.55 -15.5 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 ' NH1' ' A' ' 66' ' ' ARG . 39.4 t -64.57 -57.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.93 -39.17 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.415 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.51 -45.56 90.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.2 -27.02 53.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 mt -52.46 -40.63 62.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.8 mp0 -168.13 79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -65.74 -48.55 71.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.5 m-20 176.43 -96.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 25.0 t70 -77.49 -109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.4 mm -149.15 83.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.73 -163.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.848 ' ND1' HD22 ' A' ' 112' ' ' LEU . 40.4 m-70 -134.27 157.21 46.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.747 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.62 160.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.869 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.75 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.854 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -81.96 151.35 27.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.66 108.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -98.9 123.22 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.85 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -119.06 64.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -90.83 109.09 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.3 t -125.76 -89.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.894 ' O ' ' HE3' ' A' ' 55' ' ' MET . 66.3 t80 -47.18 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.932 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.49 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.9 t70 -100.7 -147.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -96.11 24.01 6.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -89.66 -55.61 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.06 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.85 -15.06 66.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.82 -43.56 48.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 0.807 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.86 -33.37 30.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.823 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.51 -28.44 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.21 -34.64 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.99 -33.66 76.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' C ' ' NH2' ' A' ' 66' ' ' ARG . . . -61.3 -30.34 73.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 1.05 ' NH1' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.57 -46.28 55.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.09 -45.24 42.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HE3' HD13 ' A' ' 98' ' ' ILE . 3.5 mmpt? -84.76 10.22 11.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -154.56 152.37 29.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.722 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.02 125.1 53.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.895 HG12 HD12 ' A' ' 110' ' ' LEU . 86.7 t -126.18 156.14 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.98 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.7 p -158.17 135.68 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.687 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.4 p -138.89 -167.77 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 78.54 36.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.78 HG23 ' N ' ' A' ' 83' ' ' SER . 3.1 tp -75.58 -157.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.78 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -176.77 169.74 1.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -9.06 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.21 25.7 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.2 t -139.7 -36.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.513 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.08 -11.79 60.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.72 -24.36 64.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 89' ' ' LEU . 4.8 mt -63.85 -45.78 87.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 60' ' ' LEU . 18.3 m-85 -85.83 -22.86 27.4 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.36 -33.98 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.0 ttt -83.56 -36.42 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -28.49 68.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.98 10.61 65.29 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.5 tp -106.65 9.08 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.586 0.815 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -49.11 -36.28 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -21.44 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.31 -12.7 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 29.7 mm -117.32 -11.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 1.1 ttp180 33.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.98 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -103.71 172.29 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.594 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -145.18 -143.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.867 ' O ' ' N ' ' A' ' 105' ' ' GLU . 85.3 mt-30 -154.35 93.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' ' 107' ' ' GLN . 12.9 t 50.79 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -35.83 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.612 ' OE1' HG13 ' A' ' 78' ' ' VAL . 4.6 tt0 -68.76 -13.92 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.809 ' N ' ' O ' ' A' ' 104' ' ' SER . 11.3 pt20 -33.41 -31.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.61 -53.52 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -63.97 -19.36 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.895 HD12 HG12 ' A' ' 78' ' ' VAL . 13.1 tp -57.64 -35.71 70.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.912 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.92 -5.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.361 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.848 HD22 ' ND1' ' A' ' 44' ' ' HIS . 2.3 tt 96.65 26.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.407 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.92 24.96 0.19 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' A' ' 112' ' ' LEU . 25.1 t -143.27 71.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 0.819 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.912 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.887 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -85.8 -156.1 26.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.642 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.01 134.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.564 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -147.87 143.06 27.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 31.3 mtt -139.41 138.72 36.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -146.56 147.82 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.26 136.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.927 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.2 106.52 5.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.72 -27.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.15 -5.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.959 HG11 HG23 ' A' ' 111' ' ' THR . 9.6 p -86.1 124.49 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.59 96.97 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.852 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -72.12 136.01 46.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -128.34 102.71 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -98.54 102.31 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -95.92 131.73 41.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.887 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.695 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 149.9 -119.63 1.05 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -121.65 156.53 32.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.869 HD21 ' HA3' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -117.92 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.635 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -141.49 171.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.765 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -46.5 -23.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.765 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.8 m-70 -79.19 -50.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.624 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -81.12 -30.0 34.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -61.31 -15.06 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.77 -51.93 65.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.09 -48.27 8.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 tp -71.8 -26.23 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.72 -44.17 81.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 16.9 pt20 -75.91 -19.73 58.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.376 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.764 ' HE3' HH21 ' A' ' 66' ' ' ARG . 51.0 tptt -73.67 -31.78 63.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 29' ' ' LEU . 3.0 t -62.08 -58.02 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.76 -31.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 3.6 mm100 -66.8 -39.32 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -76.95 -25.89 53.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -49.08 -35.02 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 7.8 mt-10 -168.44 75.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.47 -52.03 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 150.38 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.8 t0 -78.2 -127.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 42' ' ' ILE . 6.2 mm -147.06 79.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.2 mpt_? -80.26 -164.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.813 ' CE1' HD23 ' A' ' 112' ' ' LEU . 33.3 m-70 -135.59 160.3 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.177 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.88 160.07 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -158.53 84.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 110' ' ' LEU . 31.2 mt -82.98 152.96 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -178.66 108.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.805 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -99.56 114.61 27.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -23.36 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 27.9 t70 -118.71 62.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.902 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -90.54 108.8 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -125.44 -89.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CD2' ' OD2' ' A' ' 22' ' ' ASP . 56.9 t80 -45.91 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.885 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.37 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.8 t0 -102.71 -151.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -96.13 30.51 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.48 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -94.78 -49.74 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.869 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -93.42 -9.95 59.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.427 1.079 . . . . 0.0 111.019 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.54 -43.33 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.45 -33.38 28.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.61 -24.75 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.634 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.81 -35.32 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.44 -43.0 86.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -56.5 -24.04 44.98 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.764 HH21 ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.99 -40.13 28.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.753 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -56.31 -43.3 78.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -85.27 8.82 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.636 ' CG ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.507 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -150.75 145.49 25.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 0.716 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.721 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -112.53 124.64 52.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.921 ' H ' HD11 ' A' ' 45' ' ' ILE . 46.0 t -128.23 155.72 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.7 p -153.58 131.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 8.2 p -139.05 -167.84 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 79.58 21.5 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 1.2 tp -66.57 -154.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.29 175.3 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -75.01 -7.28 19.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.79 33.69 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.902 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.48 -36.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.568 ' CB ' HG12 ' A' ' 82' ' ' ILE . 3.1 pttt -76.1 -6.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.55 -16.55 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.1 mt -70.92 -45.13 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.64 -21.28 28.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -70.49 -34.15 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.6 ttt -80.4 -35.18 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -55.56 12.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.928 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.23 -10.79 54.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.536 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -86.3 8.92 19.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.92 -34.47 12.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -62.8 -21.51 65.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.863 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.78 -12.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.632 ' CG2' HG11 ' A' ' 79' ' ' VAL . 32.6 mm -116.84 -13.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 96' ' ' PHE . 55.7 mtt180 32.5 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -105.46 174.21 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.582 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -155.57 -145.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.819 ' O ' ' N ' ' A' ' 105' ' ' GLU . 81.5 mt-30 -155.64 97.98 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.784 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.5 t 53.22 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.819 ' N ' ' O ' ' A' ' 103' ' ' GLN . 43.8 tt0 -38.29 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -71.82 -13.43 61.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.9 pt20 -35.26 -30.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.34 -53.44 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CA ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -65.82 -17.17 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.623 1.202 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.783 HD12 HG12 ' A' ' 78' ' ' VAL . 12.6 tp -60.64 -41.34 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.959 HG23 HG11 ' A' ' 12' ' ' VAL . 3.8 m -59.18 -2.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.73 10.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 73.26 37.2 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.9 t -172.88 80.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 0.722 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.15 -167.89 37.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 177.69 136.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.66 ' N ' ' O ' ' A' ' 16' ' ' ARG . 4.7 t0 -139.99 172.46 12.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.9 mtp -157.11 134.39 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.93 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -135.17 175.09 9.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.2 t -143.25 136.85 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.726 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.51 104.53 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' O ' ' OG ' ' A' ' 11' ' ' SER . 5.0 tt0 63.01 -27.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.726 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.09 -1.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.878 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.48 121.5 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.35 108.4 20.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.666 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -73.72 126.94 31.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.841 ' HB ' HD13 ' A' ' 47' ' ' LEU . 9.6 mm -108.79 92.08 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.66 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -94.53 110.75 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.91 138.98 53.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -126.41 114.94 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.59 -131.61 2.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.777 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -125.82 153.18 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.891 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -110.35 103.69 12.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.58 164.91 35.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.483 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.6 p80 -41.03 -27.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -75.9 -55.42 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.667 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -78.29 -11.29 59.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.851 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -77.77 -26.13 49.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.33 -46.64 87.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -46.28 -49.71 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -66.54 -27.18 67.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.05 -42.37 49.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' THR . 2.1 pt20 -77.88 -31.2 51.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HB3' HD12 ' A' ' 29' ' ' LEU . 16.6 tptt -66.03 -11.89 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.918 HG22 ' HG3' ' A' ' 66' ' ' ARG . 11.5 t -77.29 -55.34 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.67 -41.07 63.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -63.2 -47.96 80.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -23.35 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.28 -32.25 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 35.3 mt-10 -160.74 75.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.32 -48.46 61.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.8 m-20 167.41 -93.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 28.2 t70 -79.93 -120.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.68 83.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.96 -166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.909 ' O ' HD22 ' A' ' 13' ' ' LEU . 39.6 m-70 -128.22 155.09 45.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.688 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.27 159.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.878 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -158.21 85.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.841 HD13 ' HB ' ' A' ' 15' ' ' ILE . 2.4 mm? -82.18 153.67 25.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 48' ' ' ASN . 3.4 t30 -178.28 109.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -110.01 127.59 54.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.72 -20.41 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 35.6 t0 -104.19 66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -89.28 101.84 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 t -112.63 -86.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 71.4 t80 -73.47 -67.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.891 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 34.93 82.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 8.9 t0 -104.76 -153.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -97.78 -3.77 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 22' ' ' ASP . 4.3 m -59.48 -12.56 6.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -129.78 3.44 6.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -51.86 -55.37 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.31 59.13 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.851 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -60.97 -22.36 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.2 mt -100.23 -38.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.909 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -66.12 -46.08 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.89 66.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.918 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.66 -30.57 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.73 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -59.01 -35.97 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 6.7 mmmt -86.05 -26.84 25.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.49 ' CG ' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 112' ' ' LEU . 4.6 mm-40 -148.46 149.5 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.596 ' HA ' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.8 123.67 47.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 111.003 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -114.38 155.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.778 HG22 ' CE2' ' A' ' 101' ' ' PHE . 7.2 p -164.06 122.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -122.71 -170.57 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.785 ' HB3' HD23 ' A' ' 49' ' ' LEU . . . 68.84 65.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.725 HD13 ' CD1' ' A' ' 101' ' ' PHE . 10.6 tp -90.75 164.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.79 158.52 56.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.931 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -14.15 21.38 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.799 . . . . 0.0 110.976 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . . . -122.12 30.51 6.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.573 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 1.2 t -142.62 -39.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.13 -12.45 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -71.15 -24.69 62.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 57' ' ' SER . 5.0 mt -61.7 -41.93 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.709 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 30.9 m-85 -90.5 -24.05 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -75.26 -34.02 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.31 -42.01 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -55.21 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.95 9.27 40.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 98' ' ' ILE . 1.7 tp -107.56 11.65 28.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -43.34 -29.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 111.071 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -21.86 64.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -82.44 -17.68 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.909 HD11 HD12 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -108.53 -15.96 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.549 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 29.42 85.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.1 t80 -107.31 170.59 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.62 -146.7 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.884 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.3 mt-30 -148.61 90.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 107' ' ' GLN . 30.6 t 48.17 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 103' ' ' GLN . 33.4 tt0 -34.22 -33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.606 ' O ' ' N ' ' A' ' 110' ' ' LEU . 1.6 tt0 -57.13 -14.09 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -33.55 -32.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.199 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.39 -61.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.641 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -60.77 -20.84 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -53.6 -40.08 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.882 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.74 -2.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.882 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 97.36 19.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.641 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 52.37 36.17 45.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.778 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 78.9 t -151.16 70.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.714 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.848 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.75 -161.67 31.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.684 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.5 133.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -146.35 144.08 29.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.667 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 50.9 mtp -135.82 135.2 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.803 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.8 164.79 28.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -129.4 143.74 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.23 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.15 103.78 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 63.7 -28.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.226 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.725 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.96 0.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.93 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.7 p -94.53 121.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.26 103.05 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.701 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.29 132.06 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 108.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -120.62 96.63 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -93.79 101.17 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 29' ' ' LEU . 5.7 mt -96.2 131.95 42.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.848 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -126.69 114.83 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.714 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.35 -104.45 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.399 1.062 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HD13 ' A' ' 2' ' ' LEU . 2.4 mt-10 -146.72 156.61 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.5 OUTLIER -119.84 84.38 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -128.52 169.95 13.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.736 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -49.42 -17.25 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.657 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.736 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.5 m-70 -86.99 -49.89 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.639 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -79.62 -30.8 41.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -54.71 -36.52 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.74 -51.93 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.42 -48.74 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.6 tp -67.1 -27.41 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.61 -43.05 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' THR . 1.0 OUTLIER -78.51 -29.14 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HZ3' ' CE ' ' A' ' 6' ' ' MET . 22.8 tptt -70.36 -10.44 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.3 t -85.64 -51.66 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.05 -38.24 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.5 pp0? -57.84 -37.76 74.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.25 -27.24 42.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' CG ' ' A' ' 69' ' ' GLN . 1.1 mt -48.57 -40.73 28.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -163.89 74.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.75 -46.18 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.7 m-20 166.67 -91.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.37 -141.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.752 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -122.67 80.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.945 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -81.88 -168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.941 ' O ' HD22 ' A' ' 13' ' ' LEU . 44.8 m-70 -131.27 157.61 42.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.629 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.807 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.69 157.81 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.93 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -155.87 85.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' HD11 ' A' ' 110' ' ' LEU . 3.8 mm? -83.76 152.1 24.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -179.79 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.1 117.65 34.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -24.22 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 48.2 t0 -113.59 61.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -81.87 98.71 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -103.46 -80.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 66.7 t80 -80.32 -69.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 37.44 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 10.5 t0 -106.52 -146.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -98.35 -2.01 40.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -56.03 -38.91 71.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.688 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -108.85 9.2 34.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -51.59 -41.14 60.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 0.804 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.63 47.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.818 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -55.77 -26.38 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.488 HG13 HD23 ' A' ' 29' ' ' LEU . 1.2 mt -90.63 -34.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.039 HD12 HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -69.53 -31.63 69.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -64.71 -27.43 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.5 -37.27 51.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -57.84 -46.08 85.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -85.26 9.82 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' CG ' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -149.91 144.75 26.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.807 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 4.3 tpt -108.52 126.98 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.823 HG12 HD12 ' A' ' 110' ' ' LEU . 48.3 t -130.62 156.77 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.861 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.5 p -159.7 135.62 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 14.4 p -133.15 -169.91 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 108.256 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.54 48.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' N ' ' A' ' 83' ' ' SER . 6.7 tp -79.45 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.822 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER 179.67 163.83 0.81 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.91 20.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.35 27.25 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 1.3 t -140.28 -34.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 10.1 ttpp -69.67 -12.08 61.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -73.67 -20.3 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ASP . 4.3 mt -66.91 -45.36 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.716 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.37 -21.99 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.7 tpp -89.83 -30.9 17.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -66.41 -42.61 87.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.56 -7.84 71.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 64' ' ' LEU . 7.9 tp -87.71 12.48 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -55.93 -25.02 41.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -63.3 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.803 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -97.75 11.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 1.039 HD11 HD12 ' A' ' 64' ' ' LEU . 19.8 mm -123.93 -19.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 27.52 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.861 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -113.52 169.18 9.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -150.34 -144.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.874 ' O ' ' N ' ' A' ' 105' ' ' GLU . 65.3 mt-30 -149.49 92.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 18.8 t 50.45 -63.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.874 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.7 tt0 -34.99 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.59 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.2 tt0 -67.94 -7.56 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tt0 -35.31 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.31 -50.16 6.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.69 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.64 -22.76 67.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 78' ' ' VAL . 11.3 tp -55.87 -36.89 68.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.931 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -57.0 -7.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.015 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.64 21.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 1.001 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 45.94 49.8 12.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.4 t 179.04 74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.931 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.006 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.82 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -112.17 -168.85 18.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -179.36 136.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -146.12 143.63 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.641 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 24.9 mtt -131.82 133.11 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.856 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -137.34 164.79 27.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.51 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -131.2 143.38 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.63 103.95 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 63.54 -28.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.2 -1.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.907 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.5 p -93.92 120.12 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.25 105.4 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.72 131.48 40.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -118.99 91.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -93.46 108.59 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.72 136.33 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.82 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.5 p -127.51 114.33 17.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.62 -116.77 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.618 ' O ' ' CB ' ' A' ' 25' ' ' THR . 4.1 mt-10 -123.94 162.5 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 0.811 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -121.02 80.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.914 ' OD2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -140.4 172.76 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.82 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -44.89 -31.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.82 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 69.6 m-70 -72.94 -50.93 20.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.63 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.006 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.2 p -76.81 -31.73 57.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.702 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -60.97 -24.4 66.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -55.26 -55.32 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.73 -47.56 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 tp -70.92 -25.51 62.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -55.62 -44.16 76.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.821 ' O ' HG23 ' A' ' 34' ' ' THR . 17.9 pt20 -77.24 -19.34 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.53 ' HE2' HD11 ' A' ' 15' ' ' ILE . 17.2 tptt -74.58 -30.4 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.7 t -64.37 -57.56 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.34 -31.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 3.3 mm100 -66.24 -42.28 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -76.5 -26.61 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.071 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.6 mt -45.04 -39.44 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -165.51 76.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -69.26 -50.73 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.9 m-20 162.31 -92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.53 -114.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.78 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -149.32 82.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.859 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.57 -167.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.925 ' O ' HD22 ' A' ' 13' ' ' LEU . 45.7 m-70 -133.41 155.63 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.635 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.725 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.44 160.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.907 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -157.83 84.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.75 154.29 22.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -179.33 109.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.4 123.05 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.13 -21.87 16.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 24.0 t0 -103.85 67.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -92.95 125.49 37.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.692 ' N ' HD13 ' A' ' 52' ' ' LEU . 7.6 t -136.28 -89.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 56.6 t80 -56.74 -67.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.998 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 38.36 94.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 3.1 t70 -118.4 -155.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.1 p -98.69 32.03 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.519 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -92.91 -40.69 10.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.043 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -100.54 -3.7 55.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.94 -44.02 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.3 -32.78 41.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.81 -25.56 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -88.61 -34.74 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.931 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.93 -44.18 85.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.81 -23.16 43.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -82.8 -36.56 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.724 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 1.7 t80 -59.78 -46.08 90.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' CE ' HD11 ' A' ' 98' ' ' ILE . 10.3 mmmt -79.41 4.25 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.779 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -153.34 154.73 35.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 4.2 tpt -113.53 128.25 56.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 ' HA ' ' A' ' 110' ' ' LEU . 54.2 t -126.92 149.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.859 HG13 ' CD2' ' A' ' 101' ' ' PHE . 11.0 p -155.7 135.17 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 9.4 p -138.51 -167.41 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 108.246 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.49 27.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.828 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -66.86 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.177 . . . . 0.0 109.338 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.828 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER 177.3 170.92 0.41 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.098 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -131.67 24.86 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.998 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.2 t -136.22 -37.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 ptmt -73.54 -8.3 55.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -74.21 -24.66 59.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.95 -44.42 85.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.712 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 17.0 m-85 -86.11 -19.88 29.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -72.86 -34.08 66.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.72 -32.63 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t -66.2 -29.37 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.13 74.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.6 tp -120.57 9.95 10.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.712 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.29 -34.96 16.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.19 -9.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.931 HD11 HD22 ' A' ' 64' ' ' LEU . 40.5 mm -117.93 -13.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.377 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.506 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.53 87.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.859 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.34 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.614 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.02 -150.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.876 ' O ' ' N ' ' A' ' 105' ' ' GLU . 62.2 mt-30 -152.15 92.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.781 ' O ' ' N ' ' A' ' 107' ' ' GLN . 21.1 t 49.52 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.876 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -34.93 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.672 ' O ' ' N ' ' A' ' 110' ' ' LEU . 8.5 tt0 -65.23 -9.75 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.781 ' N ' ' O ' ' A' ' 104' ' ' SER . 32.6 tt0 -33.89 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -89.38 -53.27 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -64.8 -16.73 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.909 ' HA ' HG11 ' A' ' 78' ' ' VAL . 4.7 tp -57.09 -38.03 72.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.937 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.53 -5.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.918 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.4 tt 98.43 27.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.78 26.59 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 114' ' ' VAL . 28.8 t -141.01 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.937 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.864 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -89.29 -154.1 28.64 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.28 133.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.69 141.92 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.653 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.6 mtt -136.28 134.61 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.636 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -138.83 162.13 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.631 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -129.1 142.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.03 104.93 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.1 tt0 62.57 -26.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.69 -5.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.891 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -84.63 126.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.01 100.01 11.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.808 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.41 133.75 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.354 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -125.15 96.72 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -92.46 105.04 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -97.94 129.56 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.373 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.864 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -127.47 114.48 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.07 -119.83 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.765 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -123.52 156.69 35.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.893 HD22 HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.44 97.48 6.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.49 168.79 24.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.755 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -44.63 -25.01 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.562 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.1 m-70 -76.2 -51.71 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -81.71 -29.84 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.972 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -62.99 -14.35 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.28 -50.95 68.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.23 -50.09 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.455 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 tp -69.64 -25.98 64.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.057 . . . . 0.0 109.213 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -54.84 -45.02 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' THR . 15.9 pt20 -76.2 -36.8 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.233 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 29' ' ' LEU . 34.4 tptt -60.16 -13.63 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.4 t -69.73 -56.44 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.64 -40.32 72.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -59.8 -43.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -24.11 53.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.735 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -52.56 -34.51 50.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.15 77.07 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -69.13 -46.62 67.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.1 m-20 170.18 -94.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.83 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.7 mm -147.74 91.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.552 ' NE ' HD23 ' A' ' 13' ' ' LEU . 2.6 mtm-85 -90.11 -165.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 1.034 ' CD2' HD13 ' A' ' 112' ' ' LEU . 41.6 m80 -134.66 158.36 44.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.787 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.93 158.88 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.7 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.776 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.2 mp -83.22 152.43 25.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.589 HD22 ' HB2' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -178.32 108.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.898 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.45 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -21.08 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.769 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 37.8 t0 -103.66 67.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -94.43 123.84 38.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.367 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.675 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -133.72 -88.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.423 1.077 . . . . 0.0 109.976 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -64.09 -61.87 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 1.03 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 41.6 97.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 6.6 t70 -112.03 171.85 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.6 t -68.81 -3.67 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 5.2 m -56.89 -44.41 82.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.31 -8.11 75.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.29 -43.25 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.48 -33.49 31.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.972 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.29 -24.94 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.763 . . . . 0.0 109.202 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -88.52 -35.02 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.94 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -63.35 -42.16 98.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -54.89 -33.8 56.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.36 -42.89 71.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.715 ' CG ' ' HG3' ' A' ' 77' ' ' MET . 2.4 t80 -53.66 -46.01 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -89.8 24.56 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.735 ' CG ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.657 ' HG3' HD12 ' A' ' 112' ' ' LEU . 5.0 mm-40 -138.78 146.97 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.787 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -120.07 122.97 42.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.712 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 2.9 t -132.85 156.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.719 HG22 ' CE2' ' A' ' 101' ' ' PHE . 12.3 p -157.8 131.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 21.2 p -130.82 -171.34 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.93 74.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.774 HG23 ' N ' ' A' ' 83' ' ' SER . 2.4 tp -113.61 -144.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.774 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 174.19 166.46 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 0.96 8.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -134.02 23.09 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.03 HG22 ' SD ' ' A' ' 55' ' ' MET . 10.0 t -135.3 -36.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.547 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -73.68 -9.73 58.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.76 -26.08 63.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.14 -45.64 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.6 m-85 -85.56 -22.01 28.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -71.39 -34.79 70.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.1 ttp -85.59 -31.8 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -66.29 -39.31 89.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.48 84.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.544 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 tp -111.85 9.56 20.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.97 -34.77 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -22.94 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -86.44 -8.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.94 HD11 HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -114.75 -14.93 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 99' ' ' ILE . 7.4 ttm180 30.68 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.719 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -114.11 171.96 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.608 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -152.21 -148.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.837 ' O ' ' N ' ' A' ' 105' ' ' GLU . 52.2 mt-30 -148.24 94.25 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.6 t 53.27 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.837 ' N ' ' O ' ' A' ' 103' ' ' GLN . 23.9 tt0 -39.0 -28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.5 tt0 -74.43 -18.12 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 tp60 -33.39 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -80.69 -57.1 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.492 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -59.92 -27.11 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 47' ' ' LEU . 15.4 tp -54.0 -40.17 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.988 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -59.5 -2.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.034 HD13 ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 100.13 25.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.492 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 75.81 71.77 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 114' ' ' VAL . 0.5 OUTLIER 40.72 52.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HA ' HD21 ' A' ' 112' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.048 HD12 ' HB ' ' A' ' 25' ' ' THR . 1.6 tt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.767 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -114.25 -155.75 11.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 173.7 138.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -150.06 142.99 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.1 mtm -134.11 136.86 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.682 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -142.14 165.0 28.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -132.77 149.36 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.768 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -157.83 107.53 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.6 tt0 64.78 -28.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 158.63 -2.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.885 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.2 p -88.77 123.87 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.789 HD23 ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -96.83 102.44 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.227 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.809 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.13 134.95 42.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.98 96.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ASP . 1.3 mtt180 -96.41 106.88 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.63 134.35 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.767 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -126.27 112.75 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.741 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 166.03 -118.11 0.78 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.85 164.78 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.41 80.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.644 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.53 169.49 17.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.787 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -49.31 -20.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.787 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.0 m-70 -84.63 -45.79 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.048 ' HB ' HD12 ' A' ' 2' ' ' LEU . 2.4 p -80.35 -32.96 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -69.74 -20.91 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -65.94 -53.34 40.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.49 -48.85 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.7 tp -65.94 -28.65 69.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -45.95 -42.94 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 1.6 pt20 -73.35 -30.54 63.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HZ2' HG12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -73.21 -14.44 61.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' LEU . 13.7 t -83.03 -53.7 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -45.27 -38.39 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 36' ' ' SER . 4.8 pt20 -58.6 -41.94 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -76.45 -26.32 55.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -49.36 -33.89 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.6 mt-10 -163.24 73.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.35 -46.91 59.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 11.1 m-20 164.71 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -77.59 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.701 HG22 ' O ' ' A' ' 42' ' ' ILE . 2.0 mm -147.42 85.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HE ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -82.98 -165.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.702 ' N ' ' O ' ' A' ' 11' ' ' SER . 41.2 m-70 -131.68 158.99 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.643 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.688 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.33 158.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.63 88.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.465 1.103 . . . . 0.0 109.191 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.983 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.5 154.22 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.8 t30 -178.03 107.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.93 125.39 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.17 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.623 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.8 t0 -105.1 67.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -95.51 126.23 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.621 ' N ' HD13 ' A' ' 52' ' ' LEU . 16.2 t -138.92 -87.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.715 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 68.1 t80 -54.81 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.16 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.715 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -116.78 -149.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.4 p -93.67 29.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.514 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -94.51 -59.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.17 -11.2 73.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.437 1.086 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.47 -42.63 54.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.65 -34.61 30.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.11 -24.24 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.829 HG13 HH21 ' A' ' 66' ' ' ARG . 0.8 OUTLIER -91.51 -38.73 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.955 ' HB2' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.81 -29.79 64.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.849 ' N ' HD13 ' A' ' 64' ' ' LEU . . . -70.77 -13.87 72.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.829 HH21 HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -85.21 -43.05 14.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.695 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.5 t80 -54.14 -47.06 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.47 1.23 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.565 ' HG3' HD22 ' A' ' 112' ' ' LEU . 4.1 mm-40 -143.09 147.46 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.646 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.38 130.44 50.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.942 HG13 HD12 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -122.07 157.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 ' CE2' ' A' ' 101' ' ' PHE . 8.4 p -166.77 121.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.802 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.6 p -128.02 -169.45 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.227 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.89 37.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -65.31 178.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.01 158.63 21.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.87 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.98 25.38 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.9 t -134.71 -38.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -74.04 -10.18 59.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -67.06 -30.12 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.46 -39.51 85.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.613 ' HB3' ' CG ' ' A' ' 96' ' ' PHE . 97.1 m-85 -82.91 -23.51 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.7 -35.65 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.1 ttp -89.66 -20.49 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t -66.62 -37.89 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.77 5.35 74.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.5 tp -114.52 10.93 16.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CG ' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.43 -36.06 9.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -60.26 -22.35 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.022 HG22 HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -80.51 -30.22 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 98' ' ' ILE . 1.3 mp -93.49 -14.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER 29.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.701 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -103.44 167.48 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.602 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -139.98 -148.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.877 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.6 mt-30 -151.57 94.7 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.662 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.2 t 50.08 -62.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.027 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.1 tt0 -36.24 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.613 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.2 tt0 -61.76 -10.51 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -33.9 -31.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.69 -55.9 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.696 HD13 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -62.83 -16.93 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 47' ' ' LEU . 12.4 tp -57.09 -40.64 77.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.868 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -56.38 -6.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.477 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.014 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.94 21.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 1.012 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.95 49.76 9.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.6 t -179.28 73.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 0.795 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.868 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.778 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.841 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.83 -163.92 35.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.709 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.63 130.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -138.33 156.38 47.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.674 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 82.8 mtp -148.47 133.79 18.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -144.02 140.84 29.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -110.73 144.96 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.933 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -154.32 107.87 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.0 tt0 65.76 -25.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 155.21 -5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 9' ' ' LYS . 12.0 p -86.91 124.88 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.63 98.01 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.6 m -73.63 130.57 40.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -122.02 101.9 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -95.14 101.97 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD21 HG12 ' A' ' 4' ' ' ILE . 6.9 mt -96.29 130.53 43.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.841 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.62 113.75 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.11 -113.57 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -123.68 160.2 27.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.06 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -121.51 80.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.1 p-10 -139.97 177.8 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.766 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -47.38 -29.25 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.766 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 76.6 m-70 -70.91 -54.02 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.778 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.4 p -78.2 -28.81 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -66.44 -15.54 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -72.87 -46.74 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -46.15 -48.54 17.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.811 ' C ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.35 -28.2 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -48.5 -42.45 32.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.648 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 pt20 -75.29 -31.54 60.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 29' ' ' LEU . 9.1 tmtm? -66.41 -12.69 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.723 HG13 ' HG2' ' A' ' 66' ' ' ARG . 13.9 t -75.59 -55.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.64 -38.32 60.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 15.3 mt-30 -62.86 -46.18 89.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -23.87 53.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.59 -39.45 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 63.0 mt-10 -161.97 72.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.4 ttpt -71.41 -47.32 56.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.4 m-20 166.79 -92.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.66 -116.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -149.77 86.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.2 -165.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.853 ' CE1' HD22 ' A' ' 112' ' ' LEU . 42.0 m-70 -132.86 159.36 40.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.854 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -110.46 161.51 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 46' ' ' VAL . 1.2 t -158.06 84.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.675 HD21 HH22 ' A' ' 66' ' ' ARG . 3.7 mm? -81.86 151.65 27.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -176.95 108.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.06 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.1 125.57 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -22.92 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.688 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 26.0 t0 -104.73 66.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.44 125.1 36.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.714 ' N ' HD13 ' A' ' 52' ' ' LEU . 11.6 t -137.55 -87.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 2.3 t80 -62.36 -60.85 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 1.008 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 37.89 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.5 t70 -108.36 171.03 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -69.65 -4.22 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.499 ' HB3' ' N ' ' A' ' 23' ' ' HIS . 62.4 m -55.09 -38.21 67.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.19 -10.56 58.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.34 -45.19 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.22 -34.12 33.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.48 HG22 HD12 ' A' ' 99' ' ' ILE . 1.1 mt -93.74 -38.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.25 -49.38 64.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -57.66 -24.7 53.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.723 ' HG2' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -81.99 -30.5 31.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.2 t80 -62.18 -42.6 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.7 -31.19 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.486 ' CD ' ' CD1' ' A' ' 37' ' ' LEU . 2.4 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.731 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -156.52 157.59 35.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.854 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -122.4 131.22 53.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.88 HG11 ' HA ' ' A' ' 110' ' ' LEU . 67.7 t -126.02 151.46 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.848 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.7 p -150.24 132.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 30.5 p -137.56 -169.09 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.03 29.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.3 tp -67.33 -149.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.834 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.16 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.43 21.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.09 30.92 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.008 HG22 ' SD ' ' A' ' 55' ' ' MET . 4.3 t -143.75 -37.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -74.87 -9.24 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.62 -17.36 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 6.3 mt -70.48 -44.97 66.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.716 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 22.0 m-85 -85.18 -21.87 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.17 -34.17 72.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.4 ttp -90.42 -26.63 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -66.82 -32.18 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.87 18.5 78.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.511 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.4 tp -123.1 9.17 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.62 -33.44 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.1 -23.48 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.797 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -83.04 -10.54 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 45.5 mm -116.4 -14.38 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.482 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER 32.75 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -104.37 173.69 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.41 -146.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.882 ' O ' ' N ' ' A' ' 105' ' ' GLU . 69.9 mt-30 -154.99 94.72 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' ' 107' ' ' GLN . 27.7 t 48.81 -63.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -34.71 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.607 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -64.76 -9.41 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tp-100 -33.64 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -84.7 -53.98 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -64.9 -18.93 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.88 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.37 -42.68 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.955 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -56.07 -4.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.356 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.853 HD22 ' CE1' ' A' ' 44' ' ' HIS . 3.1 tt 96.87 26.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 41.49 25.55 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.18 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.772 ' HB ' HD23 ' A' ' 112' ' ' LEU . 53.8 t -148.3 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.955 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.873 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -101.24 -169.04 28.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 175.53 135.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -141.89 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.8 mtp -156.17 136.16 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.942 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.9 173.67 11.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -139.16 132.2 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.752 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -141.58 104.31 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.4 tt0 62.29 -26.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.752 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.51 -5.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.938 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -92.12 121.38 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -95.47 106.47 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.687 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -73.24 127.95 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.381 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.7 mp -114.52 98.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -97.69 108.5 21.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -115.27 133.53 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.099 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.2 p -124.0 114.85 20.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.676 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.32 -111.21 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.09 159.9 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.3 OUTLIER -125.03 94.24 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -141.27 165.79 26.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.747 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -41.61 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.747 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.2 m-70 -86.77 -55.32 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.873 ' HB ' HD13 ' A' ' 2' ' ' LEU . 9.0 p -78.78 -2.5 39.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -79.34 -35.68 40.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.31 -49.15 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -44.85 -45.02 9.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.35 -28.53 62.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.25 -43.5 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 34' ' ' THR . 5.2 pt20 -59.93 -36.45 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.0 tptt -67.87 -18.15 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.718 HG12 ' CD2' ' A' ' 37' ' ' LEU . 17.1 t -70.11 -56.46 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.61 -41.97 61.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.566 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 mt-30 -60.94 -46.3 91.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -23.15 54.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.24 -35.36 36.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 6.3 mt-10 -168.82 79.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.88 -50.87 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 150.37 -82.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.1 t0 -73.75 -130.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 42' ' ' ILE . 11.6 mm -144.0 77.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.64 -166.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.972 ' CG ' HD22 ' A' ' 112' ' ' LEU . 36.0 m80 -134.83 160.43 38.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.928 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -109.03 158.62 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.938 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -157.18 86.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 1.6 mp -80.16 156.47 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.534 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -175.53 110.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.686 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.08 125.8 46.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -23.65 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' HA2' ' A' ' 19' ' ' GLY . 18.1 t0 -118.68 63.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.714 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -85.61 103.1 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 t -109.11 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.735 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 86.1 t80 -85.62 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 38.0 85.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.735 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.2 t70 -108.84 -149.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 77.7 p -100.65 -0.38 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 2.9 m -63.2 -12.03 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.63 10.0 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.79 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.39 -54.39 32.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -56.31 -37.86 75.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -61.54 -20.58 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.38 -32.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -75.48 -24.07 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -75.71 -15.61 81.18 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -91.9 -37.33 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 0.824 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.6 t80 -56.71 -45.27 81.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 2.4 mtmt -81.07 8.02 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 37' ' ' LEU . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -162.0 147.26 13.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.928 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 5.0 tpt -108.0 130.45 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.926 HG12 HD23 ' A' ' 110' ' ' LEU . 21.9 t -128.85 149.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.944 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.8 p -145.82 138.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HD11 ' A' ' 110' ' ' LEU . 1.8 p -126.33 -165.24 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.14 43.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.875 HD11 ' CB ' ' A' ' 87' ' ' LYS . 5.6 tp -61.91 170.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.54 163.8 17.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.23 42.45 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.695 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -154.16 -37.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.875 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -76.62 -8.55 57.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -80.69 -16.48 53.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' ASP . 6.7 mt -73.0 -41.47 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.79 ' CE2' HD21 ' A' ' 60' ' ' LEU . 16.0 m-85 -87.69 -20.64 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.81 -34.15 66.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -39.87 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -66.4 -29.95 70.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.1 1.92 57.44 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -95.65 9.7 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.08 -39.13 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -61.08 -20.41 62.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.743 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.64 -18.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.727 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -114.09 -11.63 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER 36.48 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.944 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.2 t80 -114.0 167.72 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -143.13 -134.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 105' ' ' GLU . 4.0 mt-30 -155.72 108.96 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.58 ' O ' ' N ' ' A' ' 106' ' ' GLN . 5.3 t 49.75 -76.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -31.92 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.757 ' HB2' ' HB3' ' A' ' 102' ' ' GLU . 2.8 tt0 -47.04 -24.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 1.044 ' HA ' HD12 ' A' ' 110' ' ' LEU . 31.4 tt0 -42.8 -20.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -92.0 -42.19 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.732 HD23 ' NE2' ' A' ' 106' ' ' GLN . 33.5 tp -72.94 -22.31 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.044 HD12 ' HA ' ' A' ' 107' ' ' GLN . 75.7 mt -55.22 -46.54 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 1.002 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -55.29 -2.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.451 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.002 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 99.09 18.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.13 19.91 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.4 t -149.21 80.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.979 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.869 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.69 -159.78 23.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 177.71 134.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.537 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -133.16 163.59 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 23.7 mtm -152.15 139.4 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.937 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.1 175.73 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.1 t -145.07 138.94 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.714 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.45 104.36 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.2 tt0 63.51 -29.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.714 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.51 -4.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.913 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.66 121.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -79.83 124.98 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.974 HG22 HD21 ' A' ' 17' ' ' LEU . 1.2 mp -113.94 101.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -91.25 117.29 29.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.974 HD21 HG22 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -102.14 127.07 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.06 115.68 18.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.79 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 144.7 -121.08 1.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.943 ' O ' HD13 ' A' ' 2' ' ' LEU . 1.1 mt-10 -126.03 157.54 37.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.712 ' CD2' HD13 ' A' ' 49' ' ' LEU . 1.2 mm? -121.14 99.94 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -149.28 165.19 32.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.491 ' N ' ' HB2' ' A' ' 58' ' ' SER . 1.9 p80 -41.7 -25.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.482 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -81.85 -56.3 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.553 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' HD22 ' A' ' 2' ' ' LEU . 25.6 p -79.85 -9.07 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -78.06 -15.18 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.53 -45.77 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -43.77 -48.13 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.844 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.1 tptt -56.81 -43.73 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' THR . 14.8 pt20 -74.26 -35.76 63.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 110.203 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 tptt -61.86 -13.54 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 29' ' ' LEU . 14.8 t -74.97 -55.02 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.14 -38.85 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 31' ' ' GLN . 8.6 mt-30 -61.52 -45.44 94.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.658 ' HA ' HH21 ' A' ' 43' ' ' ARG . 0.2 OUTLIER -76.7 -23.12 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 0.0 110.036 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.838 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -48.5 -33.31 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 32.6 mt-10 -160.9 76.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.99 -49.16 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.7 m-20 164.19 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.0 t70 -79.38 -111.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 42' ' ' ILE . 2.0 mm -148.41 80.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.79 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.05 -170.94 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.923 ' CE1' HD22 ' A' ' 112' ' ' LEU . 55.2 m-70 -128.59 159.14 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.521 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.31 161.01 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' CG2' ' A' ' 12' ' ' VAL . 2.0 t -157.52 83.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.642 ' O ' HD21 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -83.62 153.51 24.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 110' ' ' LEU . 17.4 p-10 178.09 112.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.967 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.34 124.65 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -22.36 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 42.0 t0 -103.64 62.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.827 ' HA ' HD11 ' A' ' 49' ' ' LEU . 1.3 tm? -83.22 108.09 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.3 t -109.44 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 42.4 t80 -70.56 -79.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.926 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.55 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 5.3 t70 -112.23 -145.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD21 ' A' ' 89' ' ' LEU . 1.5 p -93.31 26.7 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -90.8 -55.31 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -85.82 -6.55 82.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.878 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.09 -42.67 60.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.95 -33.64 36.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.84 -23.85 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.0 mt -95.79 -31.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -73.67 -27.25 61.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.4 -14.32 77.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -91.04 -35.04 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.702 ' CD2' ' HB3' ' A' ' 77' ' ' MET . 2.0 t80 -60.93 -47.79 84.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -5.84 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.838 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.736 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -155.7 153.79 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.702 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.88 127.62 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.955 HG11 ' HA ' ' A' ' 110' ' ' LEU . 42.2 t -126.27 148.23 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.982 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.8 p -155.05 135.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 13.9 p -138.43 -169.6 2.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.92 40.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.827 HG23 ' N ' ' A' ' 83' ' ' SER . 5.3 tp -66.5 -146.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.827 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -177.89 162.23 1.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.5 18.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.01 30.61 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 52' ' ' LEU . 1.1 t -145.9 -35.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.536 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 4.0 ttpt -65.81 -18.89 65.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -65.3 -21.91 66.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.507 HD21 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -65.54 -46.8 78.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.878 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.7 m-85 -84.6 -23.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -69.79 -34.44 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.7 ttp -90.22 -26.53 20.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -65.92 -42.98 89.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.94 86.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.09 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.9 tp -112.1 10.2 20.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 0.734 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -48.14 -33.29 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -61.75 -24.28 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.694 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.37 -9.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.652 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.8 mm -116.02 -13.3 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 31.03 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.982 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -103.39 171.23 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -145.54 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.866 ' O ' ' N ' ' A' ' 105' ' ' GLU . 49.9 mt-30 -152.21 92.69 1.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.79 ' O ' ' N ' ' A' ' 107' ' ' GLN . 25.3 t 49.73 -63.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.866 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.4 tt0 -34.52 -31.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' A' ' 110' ' ' LEU . 7.5 tt0 -65.65 -10.13 33.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.79 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.0 tp-100 -33.78 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.99 -53.66 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.58 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.91 -18.81 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.955 ' HA ' HG11 ' A' ' 78' ' ' VAL . 5.1 tp -55.77 -36.25 67.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.941 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -57.35 -5.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.923 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.7 tt 97.67 26.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.58 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.22 26.19 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.714 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 36.2 t -145.37 71.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.941 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.909 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.832 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -144.62 79.64 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.82 HD12 ' H ' ' A' ' 5' ' ' ASP . 3.0 tp -70.59 151.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.82 ' H ' HD12 ' A' ' 4' ' ' ILE . 26.7 t0 -141.51 170.41 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.608 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 34.7 mtp -156.96 134.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.672 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -143.52 164.69 29.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -133.41 142.21 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.731 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.11 104.74 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.28 -27.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.738 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 161.57 -3.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.884 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -88.28 120.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.06 102.94 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.717 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.76 131.54 37.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 14' ' ' CYS . 1.6 mp -120.48 90.78 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -88.25 101.69 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 49' ' ' LEU . 1.9 tm? -103.39 124.9 49.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.832 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -127.9 110.38 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.909 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.42 -120.17 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' CB ' HG21 ' A' ' 25' ' ' THR . 0.1 OUTLIER -123.55 163.01 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD21 HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.3 88.74 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -142.04 169.23 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.725 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -47.77 -16.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.555 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.725 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.1 m-70 -95.79 -52.88 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.646 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.797 ' HB ' HD13 ' A' ' 2' ' ' LEU . 18.2 p -79.91 -20.72 45.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.15 -14.45 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -62.28 -46.97 86.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -43.16 -47.84 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.6 tp -72.67 -29.98 63.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -51.97 -43.41 63.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' THR . 17.5 pt20 -77.62 -33.34 53.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -63.76 -12.1 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' LEU . 11.8 t -75.52 -54.6 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -54.0 -39.06 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 19.9 mt-30 -62.73 -47.46 83.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -23.49 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.755 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -51.34 -34.13 32.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -165.26 76.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.252 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HZ3' HD23 ' A' ' 13' ' ' LEU . 8.0 ttpt -69.96 -47.12 63.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 165.86 -91.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.78 -140.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -125.95 82.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.63 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.62 -166.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.918 ' CD2' HD13 ' A' ' 112' ' ' LEU . 30.6 m170 -127.8 159.98 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.62 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.227 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.56 157.67 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.884 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -159.01 84.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 110' ' ' LEU . 3.7 mm? -83.44 153.1 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -176.72 107.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.63 122.49 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.95 -22.97 16.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 19' ' ' GLY . 15.5 t70 -121.45 66.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -96.18 113.66 25.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -129.31 -88.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.648 ' CD2' ' OD1' ' A' ' 22' ' ' ASP . 59.2 t80 -47.56 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.865 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.43 87.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -100.47 -146.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -94.84 12.5 27.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.567 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -78.98 -61.07 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -78.56 -19.28 74.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.21 -44.47 53.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.24 -32.3 39.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -24.17 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -88.92 -34.68 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.62 -46.25 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.01 -9.77 42.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.722 ' CG ' HG13 ' A' ' 33' ' ' VAL . 2.1 mtp180 -100.29 -34.03 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CE1' ' HA ' ' A' ' 99' ' ' ILE . 2.5 t80 -54.91 -35.19 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.64 -25.83 22.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.68 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.977 ' O ' HD12 ' A' ' 45' ' ' ILE . 12.9 mm-40 -144.41 147.36 33.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.812 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.97 125.82 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.888 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.1 t -125.1 158.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.63 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.0 p -166.89 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 110' ' ' LEU . 17.7 p -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.58 40.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 83' ' ' SER . 3.7 tp -76.44 -144.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.788 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -177.87 161.94 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.69 11.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.39 27.07 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.913 HG21 HD12 ' A' ' 52' ' ' LEU . 3.0 t -139.45 -36.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.527 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.15 -9.58 58.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' N ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -71.02 -23.12 62.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.344 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 89' ' ' LEU . 2.4 mt -64.05 -46.14 85.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.729 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 20.1 m-85 -85.74 -21.64 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -71.36 -34.23 70.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ttt -83.92 -35.26 24.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t -65.46 -46.17 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.34 79.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.6 tp -94.07 10.65 32.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.81 -32.7 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.6 -22.35 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.696 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.17 -11.64 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.1 mm -115.37 -14.32 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER 32.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.66 171.49 7.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.0 -145.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.222 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.849 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.8 mt-30 -157.68 99.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.772 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.2 t 51.42 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.8 tt0 -38.16 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.6 tt0 -72.54 -23.0 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.237 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.8 tp60 -33.35 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -83.77 -62.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -59.46 -16.89 26.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.888 ' CA ' HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.9 -37.34 76.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 1.09 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -59.99 -0.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.96 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 105.63 16.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 109' ' ' LEU . . . 75.6 -4.71 41.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 115' ' ' ALA . 2.8 t -122.4 -139.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 1.09 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.825 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 tp . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.876 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -108.73 -156.11 17.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.567 1.167 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.92 134.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -145.43 144.82 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.698 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.1 mtp -137.76 136.05 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.806 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.62 164.56 28.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -127.83 140.59 48.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.55 103.75 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.3 tt0 63.41 -29.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.24 -2.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.951 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.0 p -91.87 123.48 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.806 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.74 101.8 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.698 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -71.56 130.23 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.2 mp -117.65 95.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 1.1 ttt180 -90.48 99.28 12.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -94.01 129.61 40.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.876 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.07 114.93 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.84 -118.99 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.3 mt-10 -129.54 155.74 45.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.734 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.012 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -117.4 83.8 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 1.038 ' OD1' HG23 ' A' ' 25' ' ' THR . 26.3 p30 -130.22 177.32 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.742 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.0 p80 -55.22 -16.56 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.742 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.4 m-70 -88.15 -47.84 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.038 HG23 ' OD1' ' A' ' 22' ' ' ASP . 6.6 p -78.48 -33.23 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.066 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.18 -46.12 68.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -53.51 -51.0 64.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 110.352 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 25' ' ' THR . 14.5 m -44.44 -46.64 9.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.069 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -68.42 -30.56 69.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.735 ' CD ' HH21 ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.38 -44.38 62.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.606 ' O ' ' CG2' ' A' ' 34' ' ' THR . 2.7 pt20 -73.63 -33.89 64.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HE2' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -73.37 -12.87 60.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.069 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.6 t -88.68 -52.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.606 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -43.12 -33.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' OE1' ' HA ' ' A' ' 32' ' ' LYS . 78.8 mt-30 -66.75 -46.25 76.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -77.85 -24.34 48.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.947 HD23 HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.13 -32.46 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 56.9 mt-10 -160.45 74.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HZ2' ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -70.99 -43.17 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.0 m-20 159.99 -84.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 40.7 t0 -74.6 -130.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -138.25 86.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.688 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 1.7 mtt85 -84.45 -166.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.953 ' CG ' HD22 ' A' ' 112' ' ' LEU . 32.1 m80 -128.59 162.59 26.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.241 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.36 155.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.951 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -158.68 85.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.891 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -83.11 152.5 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -177.1 109.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.724 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -100.33 119.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.97 -23.24 18.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 54.7 t0 -114.42 63.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.907 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -84.44 104.63 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 t -111.62 -85.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 30.3 t80 -75.19 -61.09 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . 1.012 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 31.77 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.072 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.8 t70 -99.39 -152.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -100.12 2.89 43.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -53.46 -36.74 61.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.72 7.98 31.86 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.678 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -50.41 -45.96 55.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.77 79.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -21.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.88 -40.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -69.18 -47.59 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.32 -12.21 63.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 1.01 ' CG ' HG11 ' A' ' 33' ' ' VAL . 1.2 mpt_? -98.64 -43.38 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -41.37 -37.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 5.0 mmmt -81.2 -34.56 32.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 66' ' ' ARG . 2.7 mt-30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 45' ' ' ILE . 21.1 mm-40 -144.88 147.9 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.796 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.757 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.25 119.66 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.876 ' H ' HD11 ' A' ' 45' ' ' ILE . 21.1 t -131.01 151.64 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.757 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.5 p -151.25 135.44 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.716 ' HB3' HD13 ' A' ' 110' ' ' LEU . 13.9 p -125.43 -168.29 1.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.06 50.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.0 tp -70.25 172.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.87 162.0 23.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -124.31 45.25 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 52' ' ' LEU . 1.4 t -158.55 -35.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.744 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -80.37 -3.89 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.573 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -83.56 -16.51 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.573 ' CD1' ' NH1' ' A' ' 88' ' ' ARG . 17.3 mt -73.78 -42.36 61.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 13.3 m-85 -87.26 -18.71 29.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -74.5 -34.26 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.91 -40.89 19.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -33.47 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.7 -1.85 60.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.7 tp -90.72 10.72 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.02 -32.88 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -62.62 -21.77 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.753 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.57 -9.86 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -115.3 -14.51 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER 32.49 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.757 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.3 t80 -111.49 170.38 8.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.642 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -143.61 -145.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.2 mt-30 -148.51 88.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.761 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.4 t 48.9 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -35.06 -30.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.8 tt0 -66.42 -6.08 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 104' ' ' SER . 43.6 tp60 -35.95 -29.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.85 -47.83 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.701 HD22 ' HA2' ' A' ' 113' ' ' GLY . 0.2 OUTLIER -60.97 -29.12 69.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 47' ' ' LEU . 7.3 tp -49.54 -43.0 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -59.84 -0.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.953 HD22 ' CG ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.27 18.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.701 ' HA2' HD22 ' A' ' 109' ' ' LEU . . . 49.0 20.16 1.79 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -150.05 78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.45 0.736 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.802 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 9.4 tp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -106.1 -151.98 19.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER 176.46 135.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.33 144.14 31.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 25.2 mtm -137.39 134.53 36.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -139.71 165.87 26.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -131.71 144.02 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.738 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.86 104.66 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.556 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 tt0 63.36 -26.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.738 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.86 -5.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.92 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.6 p -86.3 126.42 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.665 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.4 102.76 14.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.774 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.2 134.08 41.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -123.39 91.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -87.2 103.84 15.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.813 HD11 HD22 ' A' ' 29' ' ' LEU . 22.8 mt -96.87 130.81 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.833 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.21 114.27 16.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.802 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.17 -120.2 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.5 OUTLIER -124.18 159.56 29.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HA ' ' HG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER -117.93 93.11 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.952 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.3 p30 -148.64 169.03 21.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.56 -28.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' ASP . 7.8 m80 -74.81 -57.23 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.952 HG23 ' OD1' ' A' ' 22' ' ' ASP . 17.6 p -77.82 -14.96 59.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.72 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.16 -15.03 61.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -69.58 -44.97 69.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -45.34 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -70.88 -27.23 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.33 -42.77 96.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' THR . 17.7 pt20 -78.74 -22.67 46.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 23.7 tptt -72.24 -24.76 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.1 t -64.27 -59.51 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -45.76 -31.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.6 ' OE1' HG23 ' A' ' 34' ' ' THR . 3.5 mm100 -68.58 -44.4 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -76.4 -23.46 54.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -48.69 -35.51 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -164.27 75.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -71.77 -48.55 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.7 m-20 168.05 -93.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.25 -114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 42' ' ' ILE . 5.2 mm -147.38 80.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -77.86 -168.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.699 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 36.4 m-70 -131.23 159.5 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.233 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -101.45 158.23 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.92 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.02 85.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.479 HD11 ' NH2' ' A' ' 66' ' ' ARG . 3.6 mm? -83.85 151.55 25.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.484 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.0 p30 -179.43 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.61 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -21.3 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.7 t0 -106.63 67.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.839 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -93.26 124.51 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 2.0 t -134.84 -88.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.4 t80 -62.88 -60.71 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.967 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.15 94.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.665 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 8.3 t70 -113.74 171.2 7.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 9.6 p -69.79 -2.35 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.497 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.5 m -56.55 -40.17 74.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' HA2' ' HB1' ' A' ' 26' ' ' ALA . . . -92.58 -7.99 62.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.45 -43.3 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.07 -34.55 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -63.31 -24.43 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 0.814 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -34.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.028 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.41 -39.95 85.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.2 -22.77 44.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.579 1.174 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.661 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -87.64 -51.35 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.676 ' CE2' ' HA ' ' A' ' 99' ' ' ILE . 1.7 t80 -40.79 -37.65 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -37.2 36.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.802 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.754 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.6 mm-40 -141.96 148.36 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.72 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -116.3 124.9 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.872 ' N ' HD11 ' A' ' 45' ' ' ILE . 67.8 t -132.63 144.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.779 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.5 p -145.39 133.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -136.18 -170.04 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.11 47.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.815 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -90.55 -150.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.815 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 179.22 169.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.892 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.59 12.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -132.02 23.83 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.776 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.6 t -136.02 -37.23 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' CB ' HG12 ' A' ' 82' ' ' ILE . 8.7 pttm -72.28 -10.4 59.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.468 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -69.02 -28.07 66.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.5 -46.18 84.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.705 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 31.9 m-85 -86.45 -26.86 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.77 -33.96 74.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 20.8 ttt -81.17 -33.44 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -49.07 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.66 47.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.898 HD13 ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.45 11.56 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 0.0 109.327 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -45.64 -26.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -22.61 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.898 ' CG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.18 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 1.028 HD11 HD22 ' A' ' 64' ' ' LEU . 19.5 mm -114.8 -17.15 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 14.4 ttm-85 30.09 89.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.779 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -142.78 -146.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.852 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.5 mt-30 -154.54 95.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 107' ' ' GLN . 15.5 t 49.99 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.852 ' N ' ' O ' ' A' ' 103' ' ' GLN . 4.0 tt0 -34.7 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.1 tt0 -62.12 -12.66 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.72 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -34.24 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.71 -56.29 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.676 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -64.84 -12.17 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -62.78 -38.14 89.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.881 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -57.84 -6.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 110.46 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.993 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.48 23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 42.82 52.58 5.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER 176.27 81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.353 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.699 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 tp . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -103.72 -176.45 25.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER 179.47 131.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.644 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 t70 -134.86 171.24 14.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mtm -155.46 132.94 11.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.868 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.46 166.98 23.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.509 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -131.75 142.82 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.712 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.63 103.79 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.0 tt0 63.98 -28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.712 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.61 -2.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.963 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -93.97 120.0 42.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.54 107.18 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -74.66 137.85 42.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.7 mp -126.96 96.58 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.359 1.037 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.644 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -98.39 110.82 23.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.74 138.11 52.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.747 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.4 p -129.18 114.57 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.652 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 165.63 -118.43 0.8 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.458 1.098 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.05 162.56 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 0.802 . . . . 0.0 110.301 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.22 84.59 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.16 170.3 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' CB ' ' A' ' 58' ' ' SER . 3.1 p80 -45.53 -27.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.5 -50.41 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.699 ' HB ' HD13 ' A' ' 2' ' ' LEU . 1.4 p -79.49 -28.42 41.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.21 -17.83 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -68.21 -46.81 69.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 110.223 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -45.79 -48.57 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -65.77 -29.57 70.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.6 -43.55 12.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 34' ' ' THR . 3.2 pt20 -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 39.2 tptt -66.74 -12.29 58.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.821 HG12 HD13 ' A' ' 37' ' ' LEU . 37.4 t -77.51 -55.55 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -50.46 -39.77 48.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 10.0 mt-30 -65.65 -49.05 70.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -24.42 54.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -50.46 -36.04 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 33.4 mt-10 -160.37 73.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.2 ptpt -72.87 -40.82 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.598 1.186 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 152.1 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -77.22 -139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -133.75 85.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.878 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.08 -168.08 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.918 ' O ' HD22 ' A' ' 13' ' ' LEU . 54.8 m-70 -127.93 159.7 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.09 161.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.963 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.22 86.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.913 HD11 ' HE3' ' A' ' 77' ' ' MET . 12.8 mt -85.7 154.99 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.43 108.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.82 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -111.91 127.4 55.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -22.1 13.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.618 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 32.5 t0 -104.74 67.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -96.57 125.68 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.683 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.1 t -139.67 -86.12 0.22 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.676 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 80.1 t80 -54.28 -70.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 1.006 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.48 91.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.676 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 6.8 t0 -112.64 -151.18 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 33.0 t -95.89 29.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.47 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -87.57 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -83.43 -16.27 69.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.882 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -44.94 61.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.373 0.69 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.86 -34.87 32.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.574 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.46 -21.53 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.726 . . . . 0.0 109.227 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.6 mt -98.44 -38.14 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -63.45 -50.18 70.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -25.39 71.89 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -84.29 -43.01 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -39.68 -44.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -70.82 -41.0 72.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.67 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.646 ' CG ' HD11 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -148.62 150.27 32.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.913 ' HE3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -104.23 131.14 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -121.11 157.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.233 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 101' ' ' PHE . 12.6 p -163.3 124.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 p -125.51 -170.68 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.53 34.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.7 OUTLIER -59.75 179.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -161.08 159.0 24.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.89 6.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -136.77 26.23 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.006 HG22 ' SD ' ' A' ' 55' ' ' MET . 13.9 t -134.31 -39.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 52.5 pttt -71.79 -10.48 59.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.69 -25.85 64.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.2 mt -67.99 -45.52 73.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.882 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 44.1 m-85 -82.52 -19.42 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -70.84 -35.78 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 mtt -88.92 -27.09 21.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.913 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.07 21.0 67.55 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.83 HD22 ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.81 12.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -42.08 -30.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -22.38 65.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.83 ' HB ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.65 -8.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.699 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 31.6 mm -114.91 -15.75 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 30.79 88.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -111.9 166.87 10.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -135.19 -146.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.904 ' O ' ' N ' ' A' ' 105' ' ' GLU . 29.6 mt-30 -154.64 96.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.745 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.1 t 46.64 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.904 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.4 tt0 -34.17 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.0 tt0 -61.71 -11.26 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.1 pt20 -35.08 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.193 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -93.12 -51.26 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.711 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.1 -15.11 62.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.916 ' O ' HG22 ' A' ' 46' ' ' VAL . 9.0 tp -55.31 -37.01 66.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.767 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.09 -4.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.2 OUTLIER 94.67 28.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.711 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 40.38 25.67 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.899 HG11 ' NE2' ' A' ' 44' ' ' HIS . 92.8 t -128.72 61.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.83 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -96.46 -163.17 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.88 132.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.561 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -143.54 145.76 32.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.644 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.2 mtt -139.12 135.08 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.31 163.57 32.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -127.78 141.37 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.54 104.73 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.6 tt0 63.14 -26.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.77 -2.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.917 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.8 p -89.32 124.96 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.05 100.71 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.861 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.3 m -74.25 138.09 43.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -129.33 102.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -99.27 100.38 11.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 4' ' ' ILE . 6.5 mt -96.24 129.36 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.83 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -128.06 115.43 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.14 -119.64 1.02 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.954 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -122.35 158.17 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -125.4 84.84 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.696 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -136.19 167.64 20.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.469 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.4 p80 -42.88 -26.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.2 m80 -77.73 -53.05 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.86 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -78.91 -21.34 47.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.41 -17.84 61.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -70.06 -45.76 66.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -47.12 -47.13 23.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -67.84 -28.08 67.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.78 -40.96 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.638 ' O ' HG22 ' A' ' 34' ' ' THR . 1.7 pt20 -75.33 -33.28 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HB3' HD22 ' A' ' 29' ' ' LEU . 33.3 tptt -65.83 -13.1 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 66' ' ' ARG . 12.1 t -72.31 -56.55 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.83 -38.24 61.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 12.0 mt-30 -64.56 -47.46 78.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -26.55 56.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -51.22 -37.58 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 28.4 mt-10 -161.67 75.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 9.5 ttpt -69.1 -46.96 66.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 167.11 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -77.32 -139.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.1 83.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.52 -166.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.918 ' CG ' HD22 ' A' ' 112' ' ' LEU . 29.3 m170 -130.8 160.54 34.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.217 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -102.83 157.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.917 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.23 87.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.24 154.06 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.464 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.84 109.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -100.26 123.62 44.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -23.39 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 56.9 t0 -122.2 63.33 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -84.64 99.64 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.0 t -103.19 -88.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 79.2 t80 -61.8 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 1.005 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.84 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.643 ' O ' ' HE2' ' A' ' 55' ' ' MET . 13.0 t0 -109.55 -144.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -95.98 6.09 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -62.98 -55.11 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.59 0.5 85.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.626 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -43.21 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.87 -35.99 26.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.618 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -64.43 -21.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -95.11 -37.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -67.29 -47.37 70.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -67.5 -14.06 64.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.83 ' HD3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.78 -38.82 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 3.8 t80 -45.87 -48.65 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.81 -36.66 56.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.753 ' CG ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.417 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.9 mm-40 -139.89 148.13 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.765 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.84 125.04 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.895 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -119.79 161.28 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.774 HG22 ' CE2' ' A' ' 101' ' ' PHE . 10.2 p -171.2 119.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.381 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 110' ' ' LEU . 21.6 p -123.77 -165.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.41 37.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.599 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.5 tp -59.72 171.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.448 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -152.39 153.22 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -10.57 21.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.68 34.12 4.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -149.01 -36.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.599 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.94 -12.17 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -71.82 -21.4 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.488 HD22 ' OG ' ' A' ' 57' ' ' SER . 11.5 mt -68.79 -45.34 71.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.629 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 21.8 m-85 -84.04 -19.3 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -73.54 -35.68 65.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 ttt -88.51 -29.62 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -67.13 -35.95 80.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.49 0.32 72.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.7 tp -99.71 10.91 40.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.08 -34.19 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -63.0 -21.47 66.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.734 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.92 -17.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.371 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 19.0 mm -111.33 -12.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.494 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 31.57 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.3 t80 -102.45 168.88 9.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -136.64 -148.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.9 ' O ' ' N ' ' A' ' 105' ' ' GLU . 25.8 mt-30 -145.73 85.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.756 ' O ' ' N ' ' A' ' 107' ' ' GLN . 34.0 t 48.69 -62.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.9 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.6 OUTLIER -33.76 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.576 ' NE2' HG22 ' A' ' 78' ' ' VAL . 5.7 tt0 -63.7 -8.76 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.2 pp0? -35.65 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.4 -48.78 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -63.35 -21.74 66.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 80' ' ' CYS . 22.0 mt -47.46 -45.55 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -58.19 -0.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.495 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.961 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 101.43 17.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 51.71 18.42 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.27 79.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.845 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 21.6 tp . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.842 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -107.65 -142.96 10.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.67 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 169.05 139.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -152.62 141.0 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.686 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -137.36 139.18 40.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.663 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.51 157.09 44.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.7 147.63 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.747 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -156.3 106.85 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.608 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 64.88 -27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.69 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 158.52 -5.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -85.61 123.98 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.27 101.28 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.787 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.61 130.88 40.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.299 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -121.69 97.11 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.179 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -94.4 105.88 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -100.27 129.35 46.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.842 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.76 113.83 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.845 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 157.18 -118.46 0.84 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.47 161.55 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.84 82.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 1.018 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p30 -142.18 175.32 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' N ' ' CB ' ' A' ' 58' ' ' SER . 4.0 p80 -47.11 -26.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' HB2' ' OD1' ' A' ' 22' ' ' ASP . 9.1 m80 -72.67 -53.13 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.018 HG23 ' OD1' ' A' ' 22' ' ' ASP . 3.4 p -79.38 -29.27 42.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.8 -16.07 63.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -72.23 -51.15 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.61 -47.25 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 62' ' ' VAL . 0.3 OUTLIER -67.98 -29.23 68.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.75 -42.54 25.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 34' ' ' THR . 1.8 pt20 -78.21 -29.28 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HB3' HD22 ' A' ' 29' ' ' LEU . 10.1 tptt -67.87 -8.79 39.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.4 t -83.68 -51.81 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -54.8 -42.09 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -58.81 -43.22 90.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -77.71 -25.18 49.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.54 -34.14 24.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.404 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -162.63 73.73 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.1 ttpt -71.51 -47.22 56.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.1 m-20 165.33 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.6 t70 -78.56 -115.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 42' ' ' ILE . 2.5 mm -148.69 82.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -78.54 -166.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.925 ' CG ' HD22 ' A' ' 112' ' ' LEU . 28.6 m170 -130.93 159.03 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.216 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.39 157.71 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.861 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.62 84.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -82.6 155.87 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.432 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.19 110.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -105.89 126.03 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.39 -22.71 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 27.5 t0 -105.1 67.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.2 tm? -92.09 124.32 36.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.5 t -135.22 -88.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -62.9 -62.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.989 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.8 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.748 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.4 t0 -109.05 -168.21 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 78.0 p -89.07 13.17 13.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.593 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -68.15 -47.64 67.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.95 -8.48 75.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.75 -42.99 58.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.03 -34.3 27.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.833 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.92 -23.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -93.07 -35.04 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -71.14 -40.37 71.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -23.34 68.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.741 ' CG ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -86.5 -50.12 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.2 t80 -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -29.86 59.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.786 ' O ' HD12 ' A' ' 45' ' ' ILE . 10.9 mm-40 -142.15 146.62 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.713 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -117.84 122.3 43.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.903 HG12 HD23 ' A' ' 110' ' ' LEU . 22.0 t -128.61 148.2 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.689 HG22 ' CE2' ' A' ' 101' ' ' PHE . 5.1 p -147.12 134.6 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.884 ' SG ' HD11 ' A' ' 110' ' ' LEU . 8.0 p -124.05 -165.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.96 56.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.631 HG22 ' HA ' ' A' ' 103' ' ' GLN . 1.1 tp -83.83 176.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.76 156.13 11.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.03 9.46 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -135.24 24.26 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.989 HG22 ' SD ' ' A' ' 55' ' ' MET . 9.1 t -135.09 -38.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.602 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.53 -14.2 62.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.231 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.36 -26.24 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 89' ' ' LEU . 5.9 mt -64.58 -44.3 91.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 24.7 m-85 -87.65 -21.31 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.35 -34.88 68.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.4 ttm -83.83 -34.47 24.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -66.18 -35.05 79.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.62 8.35 86.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.501 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -106.72 10.01 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.1 -33.61 12.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -63.12 -22.44 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -81.41 -13.6 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.4 mm -115.07 -12.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 2.2 ttt85 31.57 83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.8 t80 -101.81 172.96 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.25 -142.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.883 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -153.41 91.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' ' 107' ' ' GLN . 14.3 t 48.38 -65.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.919 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.3 tt0 -34.22 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.637 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.2 tt0 -64.64 -8.93 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 110' ' ' LEU . 20.7 tt0 -38.11 -29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.87 -40.18 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.637 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -66.85 -29.13 68.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.903 HD23 HG12 ' A' ' 78' ' ' VAL . 99.3 mt -47.99 -43.19 29.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 1.006 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -56.96 -3.38 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.477 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 102.9 20.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.637 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 69.7 1.23 29.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' H ' ' A' ' 115' ' ' ALA . 5.1 t -123.81 -138.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.911 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.791 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.47 -151.65 21.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 171.48 141.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -154.21 143.97 21.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.0 mtm -135.4 143.38 45.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.368 1.042 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.946 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.82 169.97 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -136.78 142.97 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -149.57 104.07 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.7 tt0 63.17 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.41 -3.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.19 119.05 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.96 109.65 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -75.47 127.5 33.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.657 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.2 mp -113.46 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -89.5 109.83 20.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -113.46 134.48 54.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -124.72 114.85 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.745 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 159.88 -121.82 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HG2' ' CB ' ' A' ' 54' ' ' PHE . 1.6 mt-10 -123.7 159.79 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.742 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -118.83 94.39 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -139.86 172.85 12.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.692 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -57.53 -15.57 7.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.692 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 57.7 m-70 -97.31 -38.58 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.911 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -82.72 -31.11 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -70.32 -32.99 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -54.96 -51.7 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -44.27 -47.55 9.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.9 tp -68.05 -30.34 69.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -44.87 -44.09 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 1.043 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 pt20 -73.18 -32.29 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HE2' HD11 ' A' ' 15' ' ' ILE . 3.9 tptt -70.78 -17.36 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.6 t -86.82 -47.04 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 31' ' ' GLN . 9.1 t -43.91 -31.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.02 -46.49 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -25.09 41.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.715 HD11 ' HG2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -54.43 -32.96 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -161.09 68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.688 ' HZ3' ' HG2' ' A' ' 43' ' ' ARG . 5.2 ptmt -73.28 -47.43 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.3 m-20 175.66 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -75.88 -116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -146.68 87.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.24 -167.15 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.977 ' CE1' HD22 ' A' ' 112' ' ' LEU . 41.5 m-70 -126.59 157.56 38.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.156 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.18 161.24 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.919 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.61 84.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 79' ' ' VAL . 4.4 mt -84.62 153.65 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.642 ' HB3' HD11 ' A' ' 110' ' ' LEU . 2.1 p30 -179.36 108.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.918 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.28 116.47 31.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 -20.78 26.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.8 t0 -103.55 66.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 55' ' ' MET . 3.3 tm? -86.88 109.03 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -112.34 -86.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 60.7 t80 -69.99 -78.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.956 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 46.85 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.807 ' HA ' HD11 ' A' ' 89' ' ' LEU . 10.1 t0 -117.32 -151.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -91.19 28.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.535 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.57 -38.41 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.09 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -103.27 -10.91 35.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.54 -55.07 14.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.29 -31.3 69.35 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -68.15 -21.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.574 HD12 HG12 ' A' ' 62' ' ' VAL . 1.3 mp -102.4 -37.89 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HA ' HD11 ' A' ' 99' ' ' ILE . 1.8 tt -72.22 -37.46 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.25 -12.11 65.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.938 ' CD ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.24 -41.79 8.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' ' CG ' ' A' ' 77' ' ' MET . 1.8 t80 -44.96 -42.66 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.56 -27.2 58.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.715 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.248 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -158.32 158.05 33.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 0.719 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.842 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.3 ppp? -120.32 133.68 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.905 ' N ' HD11 ' A' ' 45' ' ' ILE . 65.5 t -127.2 135.51 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.004 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 3.0 p -133.08 128.47 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 31.3 p -131.18 -170.45 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.918 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.18 30.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' CE1' ' A' ' 101' ' ' PHE . 5.3 tp -59.32 -147.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.792 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.63 165.53 0.89 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 18.3 Cg_endo -75.02 -8.13 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.76 29.98 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.821 ' CG2' HD11 ' A' ' 52' ' ' LEU . 1.7 t -142.07 -37.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.514 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.32 -13.75 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -69.35 -26.23 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -60.66 -46.84 88.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.8 m-85 -84.61 -22.68 29.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -74.09 -34.0 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 mtp -76.51 -42.08 44.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -49.6 65.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.92 -6.06 59.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.15 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.538 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.0 tp -87.04 9.19 20.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.48 -33.33 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -22.63 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.649 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.87 -9.63 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.715 HD11 ' HA ' ' A' ' 64' ' ' LEU . 46.3 mm -116.39 -14.05 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 30.47 87.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 1.004 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -103.94 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.604 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -151.24 -146.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.858 ' O ' ' N ' ' A' ' 105' ' ' GLU . 91.0 mt-30 -157.0 95.35 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.769 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.9 t 50.76 -63.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.858 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.9 tt0 -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.615 ' OE1' HG13 ' A' ' 78' ' ' VAL . 3.7 tt0 -66.59 -7.44 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -34.6 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.44 -51.41 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -64.19 -21.57 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.801 HD21 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.56 -42.19 64.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . 1.016 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.12 -4.74 0.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.977 HD22 ' CE1' ' A' ' 44' ' ' HIS . 1.3 tt 97.93 26.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.1 17.02 50.82 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.924 ' CG2' HD23 ' A' ' 112' ' ' LEU . 2.3 t -112.23 -144.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 1.016 ' HB3' HG21 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.82 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.853 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -100.01 -157.25 28.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.74 130.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.476 ' C ' ' HG3' ' A' ' 6' ' ' MET . 0.4 OUTLIER -142.0 141.13 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.675 ' HG2' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -137.69 134.82 35.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.38 166.36 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.666 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -132.67 143.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.73 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.89 104.92 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 63.28 -28.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.35 -3.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.912 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -88.27 122.47 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.212 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.739 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.63 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.58 144.86 47.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.675 ' CD1' ' HG2' ' A' ' 6' ' ' MET . 9.0 mm -134.67 90.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -92.03 106.55 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.27 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.707 HD12 HD11 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -103.46 127.33 50.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.72 113.87 17.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.82 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.66 -116.66 0.74 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.568 ' C ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.7 161.19 24.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.734 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.63 91.9 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.54 170.68 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -74.29 -49.42 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.703 ' HA ' HD22 ' A' ' 2' ' ' LEU . 1.2 p -81.77 -30.51 32.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -62.4 -14.2 37.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.99 -47.81 67.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -42.79 -43.67 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.35 -30.5 60.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tptt -51.11 -47.14 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 34' ' ' THR . 11.8 pt20 -67.92 -33.36 74.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 29' ' ' LEU . 42.1 tptt -68.34 -14.46 63.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.6 t -63.99 -62.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.972 HG23 ' NE2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -49.33 -39.79 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.972 ' NE2' HG23 ' A' ' 34' ' ' THR . 12.9 mm-40 -62.58 -46.09 89.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -25.57 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 mt -47.91 -41.32 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.28 78.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.23 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.19 -47.23 62.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 8.1 m-20 176.5 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 39.4 t0 -79.16 -107.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.9 mm -151.63 87.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HE ' HD23 ' A' ' 13' ' ' LEU . 1.8 mtm-85 -81.14 -166.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.794 ' CG ' HD22 ' A' ' 112' ' ' LEU . 52.7 m-70 -130.99 159.83 36.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.6 159.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.912 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -157.91 82.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.7 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.2 mp -82.58 154.08 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' HB2' HD11 ' A' ' 110' ' ' LEU . 3.4 t30 -177.7 107.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.794 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.06 121.82 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -22.62 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.4 t0 -104.03 65.93 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.867 HD11 ' HE2' ' A' ' 55' ' ' MET . 1.0 OUTLIER -93.62 126.75 38.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.679 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.4 t -137.31 -88.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.707 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -60.27 -65.66 0.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.944 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.958 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 40.04 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.707 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -104.24 -159.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 6.0 p -97.01 22.51 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.592 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 1.3 m -77.82 -59.06 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -18.51 79.64 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.587 1.179 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.52 -44.04 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.47 -32.62 30.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.497 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.78 -21.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.231 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 99' ' ' ILE . 1.5 mt -94.94 -35.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -71.17 -45.8 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.736 ' HA3' HH21 ' A' ' 66' ' ' ARG . . . -64.2 -14.98 58.04 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.756 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -100.04 -44.69 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.704 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -42.01 -35.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.796 ' CD ' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -77.09 -37.72 53.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.666 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -149.99 150.97 32.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.671 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.75 126.33 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 112' ' ' LEU . 59.2 t -131.38 130.91 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.6 p -138.0 134.63 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -125.83 -167.18 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.69 48.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.757 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.7 tp -73.36 170.43 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.48 156.72 30.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -0.78 10.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.74 29.29 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.3 t -142.22 -38.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.757 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.61 -10.94 60.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -70.96 -15.69 62.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.2 mt -74.33 -45.27 48.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.839 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.3 m-85 -85.06 -20.39 30.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.09 -34.66 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 mtp -89.78 -27.82 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -66.72 -26.87 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.39 15.7 59.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.2 11.57 10.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -44.64 -27.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -63.11 -23.41 67.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -85.34 -5.94 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.668 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 36.7 mm -114.63 -15.77 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.62 81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.777 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.4 t80 -105.68 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -137.81 -147.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 13.1 mt-30 -150.34 90.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 32.5 t 47.34 -65.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -33.18 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.63 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.1 tt0 -61.61 -10.68 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.5 pt20 -34.18 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.11 -51.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.558 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -62.14 -20.62 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -48.89 -44.13 39.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.628 1.205 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -54.83 -5.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.884 ' HA ' HG21 ' A' ' 78' ' ' VAL . 2.2 tt 96.29 28.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.558 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 40.72 27.05 0.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 114' ' ' VAL . 6.7 t -136.88 70.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.822 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.817 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -110.59 -152.57 13.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 176.19 135.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -145.51 141.59 28.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 88.6 mtp -135.09 137.94 43.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -143.71 151.98 40.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.55 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -122.68 136.01 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.795 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -141.42 106.06 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.0 tt0 64.02 -27.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.27 -5.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.886 ' CG2' HG23 ' A' ' 46' ' ' VAL . 11.3 p -86.12 122.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.49 101.52 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.36 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.756 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -76.08 129.55 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.5 mp -120.79 97.25 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 1.4 ttt180 -92.38 100.0 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 4' ' ' ILE . 1.2 mm? -92.87 129.42 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.817 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -127.75 113.78 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.5 -118.56 0.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -124.34 163.89 20.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.885 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -125.47 86.05 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -132.35 171.28 13.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.685 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.6 p80 -53.85 -16.94 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.685 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 56.4 m-70 -96.1 -40.85 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.822 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -83.69 -18.25 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.0 -34.97 64.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -45.04 -50.03 11.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.02 -44.11 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.081 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.04 -29.77 60.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -50.53 -46.44 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.233 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.545 ' O ' ' CG2' ' A' ' 34' ' ' THR . 13.2 pt20 -71.5 -35.04 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HB3' HD13 ' A' ' 29' ' ' LEU . 11.5 tptt -72.24 -11.75 60.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.081 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.0 t -86.16 -52.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -47.47 -37.25 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.1 pp0? -56.73 -36.91 70.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -78.43 -30.14 47.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -45.18 -36.84 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 24.0 mt-10 -162.74 75.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.19 -49.37 44.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.7 m-20 161.44 -90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 23.5 t70 -77.06 -114.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.8 mm -150.11 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' SER . 2.0 mpt_? -80.56 -165.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.895 ' CE1' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -134.43 159.0 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.27 160.0 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.886 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.68 81.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.387 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.733 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -80.68 153.13 28.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 81' ' ' ALA . 3.4 t30 -179.91 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.904 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.72 120.06 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -22.3 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 17.1 t70 -117.72 64.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.881 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.32 114.67 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.1 t -125.75 -93.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.925 ' O ' ' HE3' ' A' ' 55' ' ' MET . 58.0 t80 -47.74 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 1.019 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.59 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.944 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -116.27 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 15.3 p -91.09 28.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.466 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.9 m -98.6 -23.39 15.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -128.15 -2.05 6.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -51.33 -48.72 62.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.16 -42.21 81.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.536 HG12 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -56.65 -21.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.793 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.728 HG23 HH22 ' A' ' 66' ' ' ARG . 6.1 mm -78.44 -35.53 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.856 HD21 HD23 ' A' ' 95' ' ' LEU . 1.1 tp -76.48 -15.83 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.44 -26.72 56.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.728 HH22 HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -80.86 -32.84 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.217 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 4.6 t80 -62.83 -46.89 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.39 0.88 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.768 ' HG2' HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.727 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -154.21 153.26 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.7 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 6.7 tpt -113.34 128.74 56.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.923 HG11 ' HA ' ' A' ' 110' ' ' LEU . 44.4 t -128.09 149.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 2.2 t -151.86 139.6 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.2 p -146.63 -168.87 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.904 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 81.07 23.61 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.702 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 2.5 tp -70.03 -167.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.647 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -163.03 174.06 3.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.2 Cg_endo -75.0 -10.74 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.438 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -127.5 22.26 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.019 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.5 t -136.03 -35.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 17.9 ttpt -71.87 -14.61 62.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.39 -26.28 67.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' SD ' ' A' ' 55' ' ' MET . 3.8 mt -59.58 -45.96 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.692 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 32.8 m-85 -87.23 -27.09 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.97 -33.7 74.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.085 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.1 ttm -82.56 -35.54 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -54.79 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.01 65.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.856 HD23 HD21 ' A' ' 64' ' ' LEU . 6.9 tp -84.59 12.48 6.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 0.756 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CE1' ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -56.37 -22.55 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -63.47 -26.65 68.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.798 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -99.26 11.72 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.658 HD11 HD12 ' A' ' 64' ' ' LEU . 7.4 mm -124.93 -18.71 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.491 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER 31.24 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.702 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -111.26 171.64 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.69 -147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.892 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.6 mt-30 -149.08 88.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.826 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.2 t 48.2 -62.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.892 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.1 tt0 -33.82 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 108' ' ' ALA . 9.3 tt0 -68.42 -5.66 20.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 104' ' ' SER . 28.7 tt0 -32.61 -31.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.94 -51.63 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.658 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.13 -18.7 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.923 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -56.45 -37.5 70.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.881 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.2 -5.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.895 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.6 tt 98.16 26.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.658 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 42.42 26.63 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.738 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 38.3 t -142.39 68.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.881 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.823 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -86.0 -157.83 29.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.728 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.95 133.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -149.15 141.63 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.693 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -136.46 138.62 41.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.743 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -143.44 142.2 31.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -111.4 136.61 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.702 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -139.87 104.09 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.588 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.5 tt0 64.03 -29.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 163.95 -3.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.4 p -88.25 119.37 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.6 97.73 10.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.743 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -69.86 139.6 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.35 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -129.02 102.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -102.22 99.64 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 2' ' ' LEU . 6.2 mt -100.04 131.21 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.823 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -128.05 115.46 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.383 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.713 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.65 -119.59 0.92 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.73 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -123.04 157.91 31.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -160.57 170.87 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -44.03 -26.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.534 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ASP . 9.5 m80 -75.11 -55.36 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.61 -29.01 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -69.11 -14.77 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -76.2 -49.99 15.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.2 m -48.63 -44.48 37.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 110.491 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.057 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.5 tm? -71.45 -25.66 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.94 -44.1 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' THR . 2.9 pt20 -76.11 -33.85 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 29' ' ' LEU . 2.6 tptt -69.98 -8.15 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 29' ' ' LEU . 81.0 t -85.62 -51.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.626 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.49 -40.08 65.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 2.8 pp0? -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.432 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.69 -24.27 45.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.955 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -50.49 -36.08 32.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.388 1.055 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 40.1 mt-10 -161.66 73.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.79 -45.55 61.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.6 m-20 177.25 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.75 -143.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -109.99 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.595 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.49 -166.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.785 ' ND1' HD13 ' A' ' 112' ' ' LEU . 26.6 m-70 -133.17 156.82 46.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 0.0 109.67 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.157 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.24 155.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.894 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.94 85.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -82.69 152.74 25.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' CG ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -175.12 107.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -105.67 123.02 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -21.96 17.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 44.1 t0 -120.86 66.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.829 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.42 104.66 16.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.9 t -124.3 -87.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -46.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.878 ' SD ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER 35.43 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.806 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 2.6 t70 -94.08 -154.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 p -92.76 17.91 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.572 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -81.63 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -72.96 -16.98 78.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.77 -44.12 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.44 -32.45 34.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -66.29 -24.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -89.28 -35.62 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.905 HD21 HD23 ' A' ' 95' ' ' LEU . 2.4 tp -67.27 -43.2 82.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -56.46 -21.16 33.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.709 ' CG ' HG13 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -90.66 -47.36 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 0.795 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HD12 ' A' ' 98' ' ' ILE . 3.1 t80 -40.92 -26.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' A' ' 98' ' ' ILE . 6.7 mmmt -108.96 -25.45 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.571 ' HG2' HD11 ' A' ' 37' ' ' LEU . 3.0 tp-100 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.852 ' O ' HD12 ' A' ' 45' ' ' ILE . 2.3 mm-40 -151.99 151.43 31.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 0.712 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.897 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.58 120.34 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.053 HG11 ' HA ' ' A' ' 110' ' ' LEU . 57.7 t -128.3 149.06 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.103 HG21 ' CE2' ' A' ' 101' ' ' PHE . 2.2 p -145.36 138.33 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 27.6 p -128.3 -174.15 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 67.6 80.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.789 HD13 ' CD1' ' A' ' 101' ' ' PHE . 5.9 tp -112.66 169.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 162.86 25.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -0.98 10.62 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.25 33.89 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.829 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.45 -36.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -78.74 -4.68 50.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.596 ' NE ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -79.06 -17.57 55.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.878 HD13 ' SD ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -69.7 -45.58 67.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CE2' HD21 ' A' ' 60' ' ' LEU . 26.6 m-85 -82.81 -22.67 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -66.4 -34.89 78.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.2 ttp -82.63 -31.94 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -67.53 -56.36 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.68 54.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.905 HD23 HD21 ' A' ' 64' ' ' LEU . 7.5 tp -88.91 12.84 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 0.733 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -54.39 -24.24 18.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -26.73 68.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.872 HD13 ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -99.48 12.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 100' ' ' ARG . 9.2 mm -125.15 -23.95 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.593 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 21.86 83.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 1.103 ' CE2' HG21 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.08 -177.34 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.616 ' O ' ' CD ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER 72.39 134.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.616 ' CD ' ' O ' ' A' ' 102' ' ' GLU . 13.6 mm-40 -161.23 -52.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t 50.16 -85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 103' ' ' GLN . 12.8 tt0 -74.47 -25.42 59.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' ALA . 8.2 tt0 -74.08 -6.24 46.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLN . 11.0 pt20 -35.44 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.25 -57.5 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -59.15 -15.35 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 1.19 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.053 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -63.6 -26.43 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.822 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -56.79 -5.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.426 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.03 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.2 tt 98.98 26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.554 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 45.57 29.76 2.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.775 HG11 ' NE2' ' A' ' 44' ' ' HIS . 20.9 t -126.88 67.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.01 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.891 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -118.16 -173.42 16.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -177.29 131.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -142.58 141.56 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.697 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.3 mtt -133.75 134.21 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.43 161.93 35.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -128.58 135.83 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -138.28 105.47 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.4 tt0 63.19 -28.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 163.36 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.942 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -88.0 126.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.3 100.66 12.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.893 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.82 139.82 47.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.921 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.5 mp -130.58 97.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -95.77 102.51 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.209 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -100.77 130.41 46.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.891 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -130.12 112.56 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.779 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 152.59 -114.0 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.32 159.14 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.28 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -122.09 82.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.646 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -136.27 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.761 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -51.49 -18.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.65 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.761 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.7 m-70 -87.06 -46.17 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.01 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.7 p -79.56 -34.45 40.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -58.52 -26.57 63.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.81 -52.75 38.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -45.5 -42.83 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.41 -30.11 64.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.94 -46.64 68.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 34' ' ' THR . 16.6 pt20 -73.21 -34.24 65.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.261 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.921 ' HE2' HD11 ' A' ' 15' ' ' ILE . 23.1 tptt -67.99 -9.56 46.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.9 t -83.63 -51.0 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -55.2 -41.94 72.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -59.64 -43.67 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.08 -23.13 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.45 -32.27 26.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -160.61 74.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' CE ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.8 -41.31 68.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 2.6 m-20 156.24 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 16.6 t70 -83.72 -107.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.562 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 1.1 mm -147.01 125.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -116.3 -167.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.731 ' N ' ' O ' ' A' ' 11' ' ' SER . 32.4 m-70 -133.83 159.76 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.194 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -99.3 155.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.942 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.66 84.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' H ' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.79 153.5 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 1.7 p30 -179.4 102.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -103.21 126.15 50.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.76 -22.71 15.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.244 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 62.8 t0 -122.4 66.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -95.78 111.22 23.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.464 ' O ' ' HE2' ' A' ' 55' ' ' MET . 15.4 t -125.2 -93.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.868 ' O ' ' HE3' ' A' ' 55' ' ' MET . 48.4 t80 -41.4 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.991 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 34.3 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.5 t70 -109.92 -152.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 22.9 p -95.17 29.55 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.573 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -92.1 -50.5 5.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.402 1.064 . . . . 0.0 109.984 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.65 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -98.46 -9.44 53.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -50.64 -44.27 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.22 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.05 -35.05 45.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -62.29 -23.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -89.09 -34.58 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.883 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -67.21 -45.25 77.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.04 -21.69 39.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.982 ' CD ' HG22 ' A' ' 33' ' ' VAL . 1.6 ttp85 -88.91 -50.2 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 0.781 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.739 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -39.33 -32.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HE2' HD11 ' A' ' 98' ' ' ILE . 1.6 mmtt -87.31 -40.43 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.6 tp60 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 45' ' ' ILE . 16.6 mm-40 -125.65 151.41 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -106.16 126.48 52.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.912 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -126.8 157.57 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.665 HG13 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -174.23 119.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.947 ' SG ' HD11 ' A' ' 110' ' ' LEU . 30.0 p -119.95 -166.69 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 69.91 51.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 87' ' ' LYS . 5.4 tp -79.68 169.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.91 154.06 25.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.98 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.31 27.27 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.991 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.0 t -141.29 -35.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 82' ' ' ILE . 4.4 pttt -70.99 -12.79 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.38 -24.07 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.65 HD12 ' SD ' ' A' ' 55' ' ' MET . 1.2 mt -65.76 -45.42 82.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.76 ' CE1' HD21 ' A' ' 60' ' ' LEU . 46.2 m-85 -85.4 -19.79 30.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -75.21 -34.52 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -36.49 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -66.04 -25.38 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.79 5.86 40.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.595 1.184 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.6 tp -103.83 10.85 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -46.66 -33.15 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.28 -22.49 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.883 ' CG2' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.99 -7.83 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.863 HD11 HD12 ' A' ' 64' ' ' LEU . 31.1 mm -114.91 -16.77 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.35 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.665 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -103.42 168.88 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.588 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -134.81 -145.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.933 ' O ' ' N ' ' A' ' 105' ' ' GLU . 78.8 mt-30 -148.2 86.61 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.8 t 46.6 -63.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -33.59 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.588 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -61.57 -11.93 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.4 pt20 -33.43 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.88 -53.23 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -59.45 -23.29 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.947 HD11 ' SG ' ' A' ' 80' ' ' CYS . 18.4 mt -44.23 -44.7 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.972 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.45 -10.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.408 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.11 23.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.855 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.17 52.76 6.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.046 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 112' ' ' LEU . 0.9 OUTLIER 173.85 88.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.752 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.69 HD11 HD23 ' A' ' 17' ' ' LEU . 2.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -98.91 -163.47 29.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.49 138.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -150.95 142.01 23.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 41.0 mtp -129.54 134.87 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -141.06 141.63 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -112.63 138.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.722 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -142.76 104.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.599 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.47 -25.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.52 -5.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.037 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.855 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -85.34 123.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 98.21 10.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -73.71 129.8 38.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -119.01 95.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -101.25 106.19 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.98 136.61 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -122.01 118.81 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 164.86 -127.12 1.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -121.08 155.29 34.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 0.724 . . . . 0.0 110.239 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 HD13 ' A' ' 49' ' ' LEU . 13.1 mt -111.96 90.32 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -144.1 166.9 23.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.472 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.8 p80 -43.02 -28.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -74.11 -52.92 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.66 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.616 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.75 -29.19 40.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.11 -19.0 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -71.1 -46.83 61.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 79.6 m -49.4 -54.41 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.917 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -65.0 -15.96 62.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 4.8 pt20 -68.34 -40.82 81.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.917 ' CG ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.8 -11.92 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 29' ' ' LEU . 17.2 t -72.39 -57.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.35 -39.64 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 32' ' ' LYS . 17.2 mt-30 -63.84 -46.12 86.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.76 ' HB2' HH21 ' A' ' 66' ' ' ARG . 0.2 OUTLIER -75.78 -24.11 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.76 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -53.17 -33.27 51.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -163.81 73.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.226 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -73.16 -47.71 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.3 m-20 172.49 -94.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -81.81 -143.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.686 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -114.87 92.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.9 mpt_? -86.11 -166.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 34.3 m-70 -130.66 158.11 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.202 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.22 156.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.219 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.855 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -160.42 84.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.745 ' O ' HD11 ' A' ' 110' ' ' LEU . 18.6 mt -85.89 154.84 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -175.7 110.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.48 121.81 39.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -22.56 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 21.8 t70 -123.76 66.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.935 HD22 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -91.2 109.04 20.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 t -128.5 -88.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.07 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.864 ' O ' ' HE3' ' A' ' 55' ' ' MET . 68.7 t80 -46.64 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.965 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.82 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.185 . . . . 0.0 111.007 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.622 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.3 t70 -103.79 -148.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -95.08 24.05 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.472 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -88.25 -59.02 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.65 -16.8 69.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.09 -44.29 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.41 -33.01 32.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -66.15 -24.05 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.94 -35.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -59.78 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -60.41 -36.0 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.76 HH21 ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -69.2 -40.37 78.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 0.788 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.4 t80 -48.37 -40.99 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.059 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -87.26 -28.0 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.611 ' HG2' HD11 ' A' ' 37' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.917 ' O ' HD12 ' A' ' 45' ' ' ILE . 4.7 mm-40 -143.95 147.1 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.747 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.58 124.95 53.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.886 ' N ' HD11 ' A' ' 45' ' ' ILE . 16.9 t -133.31 154.66 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.5 p -154.31 131.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.893 ' SG ' HD22 ' A' ' 110' ' ' LEU . 19.2 p -133.35 -171.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.39 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.94 44.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 4.2 tp -80.66 -145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 176.18 162.7 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.6 20.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.13 19.49 6.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.965 HG22 ' CE ' ' A' ' 55' ' ' MET . 2.8 t -130.44 -36.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.525 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.27 -11.78 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.33 -27.28 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' C ' ' A' ' 56' ' ' ASP . 1.4 mt -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 25.1 m-85 -86.52 -23.85 25.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.51 -34.44 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 56.5 mtp -85.24 -32.9 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -29.54 68.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.04 15.34 74.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.539 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 tp -115.85 10.56 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.65 -35.83 14.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -60.69 -23.22 64.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.772 ' CG2' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.59 -8.79 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 64' ' ' LEU . 25.6 mm -118.98 -14.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.537 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER 33.22 89.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.597 1.186 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.83 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -106.75 176.53 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.629 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -147.5 -147.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 95.7 mt-30 -153.28 93.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.792 ' O ' ' N ' ' A' ' 107' ' ' GLN . 16.9 t 49.16 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.962 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -34.6 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.629 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 7.3 tt0 -66.39 -10.43 43.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -34.56 -30.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.5 -53.96 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.6 OUTLIER -63.09 -19.16 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.893 HD22 ' SG ' ' A' ' 80' ' ' CYS . 65.0 tp -59.04 -38.81 80.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.985 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.8 -7.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.994 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.52 23.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.072 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.938 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.23 49.28 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.994 ' O ' HD11 ' A' ' 112' ' ' LEU . 1.1 t 177.71 85.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.897 HD12 ' HB ' ' A' ' 25' ' ' THR . 7.7 tt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.856 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -123.93 -151.62 8.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 174.98 142.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.518 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -151.12 142.4 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.717 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -135.24 133.39 38.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.698 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.49 149.97 47.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.552 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -116.49 137.55 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.716 ' C ' ' H ' ' A' ' 11' ' ' SER . 2.3 mtmt -143.11 105.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.1 tt0 63.29 -28.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 160.42 1.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 46' ' ' VAL . 8.7 p -96.0 120.21 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.14 101.35 13.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.717 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -72.86 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.4 mp -114.89 94.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -92.61 97.55 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.7 133.53 35.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.33 113.8 16.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 160.53 -121.94 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.402 1.064 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.75 163.67 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 0.723 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.761 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -117.84 81.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 1.035 ' OD1' HG23 ' A' ' 25' ' ' THR . 14.6 p30 -142.13 172.45 12.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.801 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -48.89 -25.08 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.609 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.801 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.0 m-70 -77.7 -48.4 16.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.035 HG23 ' OD1' ' A' ' 22' ' ' ASP . 12.1 p -77.59 -36.62 51.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -57.2 -21.54 34.24 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -54.66 -50.22 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -44.59 -45.05 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 63' ' ' ILE . 4.2 tp -72.4 -28.51 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.29 -44.71 61.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 34' ' ' THR . 6.0 pt20 -74.57 -36.54 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.7 tptt -52.78 -19.43 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 58.5 t -59.48 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -55.66 -40.63 72.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -26.03 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -48.53 -36.27 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 46.5 mm-40 -160.28 78.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -67.59 -51.49 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 153.43 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.6 -144.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -130.09 77.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.714 ' CB ' ' O ' ' A' ' 11' ' ' SER . 9.6 mtm-85 -81.17 -162.86 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.934 ' CG ' HD22 ' A' ' 112' ' ' LEU . 30.5 m80 -127.97 161.77 28.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.25 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.07 155.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.4 t -160.33 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -81.93 153.59 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.41 107.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.925 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.84 121.17 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -21.88 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.755 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -104.24 68.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.1 tm? -94.93 124.77 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.62 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.0 t -135.02 -89.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 57.3 t80 -58.24 -67.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.86 93.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.653 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.0 t70 -120.41 -153.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 13.2 p -99.73 33.2 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -90.83 -48.84 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.937 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.44 -3.66 59.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.02 -44.03 51.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.36 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.79 -32.63 40.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.776 HG22 ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -64.5 -24.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.4 0.706 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.8 -35.01 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.227 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -64.64 -45.89 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -70.1 -23.63 77.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.776 ' NH1' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.74 -28.25 23.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 4.0 t80 -56.38 -49.75 73.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -74.04 -35.1 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.222 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 45' ' ' ILE . 8.0 mm-40 -138.45 147.43 43.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.766 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.38 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 111.041 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.841 ' H ' HD11 ' A' ' 45' ' ' ILE . 13.8 t -130.28 156.4 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.7 t -149.12 136.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 110' ' ' LEU . 30.0 p -137.51 -171.58 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.263 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.46 32.6 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -70.49 -158.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.552 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -174.36 163.39 2.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' CZ ' ' A' ' 88' ' ' ARG . . . -137.37 26.8 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 6.5 t -136.17 -37.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.5 OUTLIER -71.23 -10.9 60.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.27 -23.33 64.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.6 mt -67.69 -46.29 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 60' ' ' LEU . 14.3 m-85 -86.46 -18.48 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.41 -34.24 70.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.395 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 27.6 ttp -86.6 -34.29 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.9 t -66.54 -44.65 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.76 -11.68 65.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.596 1.185 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -85.04 9.31 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.586 0.815 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.708 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.93 -33.57 7.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.95 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.45 -23.09 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.744 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.62 -9.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.719 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 17.4 mm -118.7 -13.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 32.41 90.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -117.29 166.57 12.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.656 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -144.27 -146.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.863 ' O ' ' N ' ' A' ' 105' ' ' GLU . 67.0 mt-30 -144.49 90.52 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.0 t 50.44 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 110.054 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.863 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -34.82 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.656 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 4.2 tt0 -67.69 -9.38 43.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.2 pt20 -36.03 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.02 -51.82 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.657 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -63.2 -24.14 67.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 47' ' ' LEU . 36.4 tp -54.02 -42.92 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.989 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -61.29 0.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.975 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 102.17 18.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.657 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 49.1 20.19 1.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.49 77.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 0.766 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.989 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.906 HD11 HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.72 -156.03 30.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.64 136.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -144.77 155.06 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.9 mtm -147.44 139.45 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -146.88 155.2 42.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -119.12 150.47 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -158.65 105.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.669 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 64.86 -28.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 158.07 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.2 p -89.33 120.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.01 98.77 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.937 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -71.0 144.34 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -136.0 103.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -99.28 95.93 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.906 HD23 HD11 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -92.53 132.18 37.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.54 115.99 18.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.44 -120.48 1.03 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.647 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -122.19 160.62 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -119.59 82.51 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.696 ' CG ' ' CE2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.92 166.51 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.776 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -44.22 -23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.776 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.8 m-70 -79.33 -51.58 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.775 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.9 p -80.68 -28.55 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -67.53 -28.26 67.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.66 -49.66 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -46.13 -43.18 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.06 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.1 -44.76 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 pt20 -74.6 -34.67 62.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.45 -8.39 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 29' ' ' LEU . 82.2 t -83.96 -50.55 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -56.26 -41.23 75.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.7 pp0? -59.56 -42.56 92.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -77.62 -24.38 49.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.824 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.07 -33.58 26.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -163.4 72.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.9 -46.05 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 163.39 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.09 -135.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.754 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.1 mm -136.23 83.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.659 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.7 mtm-85 -81.5 -165.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.723 ' CE1' HD23 ' A' ' 112' ' ' LEU . 54.2 m-70 -128.13 161.73 28.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.55 156.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -157.2 82.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.2 mm? -87.11 151.54 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.781 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 179.95 107.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -99.31 119.91 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -21.57 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 23.8 t70 -119.43 66.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -94.83 105.42 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 t -123.19 -88.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.878 ' O ' ' HE3' ' A' ' 55' ' ' MET . 69.5 t80 -46.52 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.878 ' HE3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 37.8 84.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.605 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.3 t0 -97.88 -150.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.4 p -87.8 13.28 10.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -81.74 -59.4 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -84.37 -17.3 64.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD11 ' HA3' ' A' ' 94' ' ' GLY . 0.3 OUTLIER -49.73 -45.04 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.64 -32.37 37.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -63.75 -24.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 HG12 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -87.56 -34.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.925 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -68.84 -38.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.18 -20.45 58.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.77 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -83.8 -44.19 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.28 -46.69 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -7.89 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.824 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 45' ' ' ILE . 8.4 mm-40 -138.48 146.97 42.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.667 ' SD ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 125.59 50.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG11 ' CA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -123.06 158.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.04 HG22 ' CE2' ' A' ' 101' ' ' PHE . 13.3 p -174.82 117.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 110' ' ' LEU . 10.8 p -136.81 -171.11 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.58 89.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 -156.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.574 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -152.32 167.1 13.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.563 1.823 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.06 22.46 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.797 HG13 ' SD ' ' A' ' 55' ' ' MET . 2.4 t -139.94 -34.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -78.84 -9.83 59.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.37 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.885 HD23 ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -63.32 -38.74 92.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.616 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 58.5 m-85 -78.34 -31.93 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -32.66 73.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 tpt -130.24 -58.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.885 ' CB ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.9 -12.18 16.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . -136.64 -176.36 14.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.002 ' O ' ' N ' ' A' ' 98' ' ' ILE . 11.9 tp -102.94 35.68 2.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 0.779 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.648 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -11.08 -46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.876 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.73 -25.95 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.002 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.17 -2.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.665 ' CG2' HG11 ' A' ' 79' ' ' VAL . 14.6 mm -114.95 -15.29 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 96' ' ' PHE . 4.4 mmt85 32.16 77.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 1.04 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.6 t80 -100.04 166.55 10.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.072 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.578 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -144.16 -148.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.831 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.9 mt-30 -149.7 96.22 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.7 t 53.59 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.831 ' N ' ' O ' ' A' ' 103' ' ' GLN . 7.0 tt0 -38.67 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -76.34 -21.83 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.9 pt20 -31.26 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.32 -63.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.652 HD23 ' HA2' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -61.8 -13.87 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -61.43 -37.3 83.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 111' ' ' THR . . . . . 1.011 HG22 ' HB3' ' A' ' 115' ' ' ALA . 94.8 m -58.39 -3.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.078 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 103.52 18.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.652 ' HA2' HD23 ' A' ' 109' ' ' LEU . . . 106.43 61.16 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.4 OUTLIER 55.35 109.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 1.011 ' HB3' HG22 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.857 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.9 tp -179.05 138.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.797 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -102.81 -160.19 25.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.09 133.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.406 0.709 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -144.23 144.24 31.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.694 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.2 mtp -138.81 135.33 34.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.655 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t-20 -143.11 145.29 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -115.36 133.91 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.778 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -137.86 105.9 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 64.5 -26.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.699 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 159.74 -6.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.951 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.869 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.1 p -85.7 120.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.659 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.97 98.32 10.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -73.78 133.61 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.43 97.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -93.08 101.12 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 4' ' ' ILE . 6.3 mt -98.18 133.3 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.797 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -133.5 114.06 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.857 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.95 -118.44 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.1 mt-10 -120.77 158.73 26.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -121.59 83.16 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.593 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.02 168.66 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.738 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -45.75 -22.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.738 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.3 m-70 -80.14 -49.82 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.75 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.5 p -80.72 -31.75 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -65.36 -16.03 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -66.27 -48.4 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.82 -45.75 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -69.87 -27.5 64.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.47 -43.87 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 1.4 pt20 -69.49 -35.76 75.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 29' ' ' LEU . 11.6 tttp -61.55 -15.5 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 ' NH1' ' A' ' 66' ' ' ARG . 39.4 t -64.57 -57.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.93 -39.17 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.415 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -63.51 -45.56 90.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.2 -27.02 53.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 mt -52.46 -40.63 62.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.8 mp0 -168.13 79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -65.74 -48.55 71.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.5 m-20 176.43 -96.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 25.0 t70 -77.49 -109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.4 mm -149.15 83.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.73 -163.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.848 ' ND1' HD22 ' A' ' 112' ' ' LEU . 40.4 m-70 -134.27 157.21 46.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.747 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.62 160.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.869 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.75 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.854 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -81.96 151.35 27.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.66 108.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -98.9 123.22 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.85 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -119.06 64.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -90.83 109.09 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.3 t -125.76 -89.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.894 ' O ' ' HE3' ' A' ' 55' ' ' MET . 66.3 t80 -47.18 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.932 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.49 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.9 t70 -100.7 -147.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -96.11 24.01 6.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -89.66 -55.61 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.06 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.85 -15.06 66.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.82 -43.56 48.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 0.807 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.86 -33.37 30.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.823 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.51 -28.44 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.21 -34.64 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.99 -33.66 76.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' C ' ' NH2' ' A' ' 66' ' ' ARG . . . -61.3 -30.34 73.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 1.05 ' NH1' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.57 -46.28 55.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.09 -45.24 42.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HE3' HD13 ' A' ' 98' ' ' ILE . 3.5 mmpt? -84.76 10.22 11.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -109.18 -47.6 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.93 ' O ' HG22 ' A' ' 73' ' ' ILE . 10.4 tp -75.07 -22.71 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 19.1 mttt -79.63 -47.25 15.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.35 -13.14 62.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.93 HG22 ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -80.44 -40.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.355 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.45 26.96 1.02 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -132.53 -134.61 3.55 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -154.56 152.37 29.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.722 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.02 125.1 53.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.895 HG12 HD12 ' A' ' 110' ' ' LEU . 86.7 t -126.18 156.14 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.98 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.7 p -158.17 135.68 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.687 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.4 p -138.89 -167.77 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 78.54 36.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.78 HG23 ' N ' ' A' ' 83' ' ' SER . 3.1 tp -75.58 -157.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.78 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -176.77 169.74 1.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -9.06 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.21 25.7 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.2 t -139.7 -36.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.513 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.08 -11.79 60.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.72 -24.36 64.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 89' ' ' LEU . 4.8 mt -63.85 -45.78 87.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 60' ' ' LEU . 18.3 m-85 -85.83 -22.86 27.4 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.36 -33.98 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.0 ttt -83.56 -36.42 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -28.49 68.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.98 10.61 65.29 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.5 tp -106.65 9.08 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.586 0.815 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -49.11 -36.28 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -21.44 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.31 -12.7 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 29.7 mm -117.32 -11.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 1.1 ttp180 33.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.98 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -103.71 172.29 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.594 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -145.18 -143.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.867 ' O ' ' N ' ' A' ' 105' ' ' GLU . 85.3 mt-30 -154.35 93.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' ' 107' ' ' GLN . 12.9 t 50.79 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -35.83 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.612 ' OE1' HG13 ' A' ' 78' ' ' VAL . 4.6 tt0 -68.76 -13.92 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.809 ' N ' ' O ' ' A' ' 104' ' ' SER . 11.3 pt20 -33.41 -31.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.61 -53.52 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -63.97 -19.36 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.895 HD12 HG12 ' A' ' 78' ' ' VAL . 13.1 tp -57.64 -35.71 70.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.912 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.92 -5.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.361 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.848 HD22 ' ND1' ' A' ' 44' ' ' HIS . 2.3 tt 96.65 26.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.407 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.92 24.96 0.19 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' A' ' 112' ' ' LEU . 25.1 t -143.27 71.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 0.819 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.912 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.0 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 2' ' ' LEU . 9.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -121.54 143.4 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.215 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.887 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -85.8 -156.1 26.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.642 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.01 134.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.564 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -147.87 143.06 27.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 31.3 mtt -139.41 138.72 36.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -146.56 147.82 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.26 136.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.927 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.2 106.52 5.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.72 -27.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.15 -5.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.959 HG11 HG23 ' A' ' 111' ' ' THR . 9.6 p -86.1 124.49 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.59 96.97 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.852 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -72.12 136.01 46.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -128.34 102.71 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -98.54 102.31 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -95.92 131.73 41.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.887 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.695 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 149.9 -119.63 1.05 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -121.65 156.53 32.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.869 HD21 ' HA3' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -117.92 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -141.49 171.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.765 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -46.5 -23.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.765 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.8 m-70 -79.19 -50.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.624 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -81.12 -30.0 34.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -61.31 -15.06 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.77 -51.93 65.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.09 -48.27 8.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 tp -71.8 -26.23 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.72 -44.17 81.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 16.9 pt20 -75.91 -19.73 58.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.376 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.764 ' HE3' HH21 ' A' ' 66' ' ' ARG . 51.0 tptt -73.67 -31.78 63.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 29' ' ' LEU . 3.0 t -62.08 -58.02 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.76 -31.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 3.6 mm100 -66.8 -39.32 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.596 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -76.95 -25.89 53.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -49.08 -35.02 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 7.8 mt-10 -168.44 75.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.47 -52.03 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 150.38 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.8 t0 -78.2 -127.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.995 HD11 ' O ' ' A' ' 73' ' ' ILE . 6.2 mm -147.06 79.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.2 mpt_? -80.26 -164.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.813 ' CE1' HD23 ' A' ' 112' ' ' LEU . 33.3 m-70 -135.59 160.3 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.177 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.88 160.07 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -158.53 84.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 110' ' ' LEU . 31.2 mt -82.98 152.96 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -178.66 108.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.805 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -99.56 114.61 27.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -23.36 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 27.9 t70 -118.71 62.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.902 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -90.54 108.8 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -125.44 -89.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CD2' ' OD2' ' A' ' 22' ' ' ASP . 56.9 t80 -45.91 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.885 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.37 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.8 t0 -102.71 -151.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -96.13 30.51 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.48 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -94.78 -49.74 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.869 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -93.42 -9.95 59.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.427 1.079 . . . . 0.0 111.019 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.54 -43.33 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.45 -33.38 28.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.61 -24.75 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.634 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.81 -35.32 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.44 -43.0 86.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -56.5 -24.04 44.98 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.764 HH21 ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.99 -40.13 28.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.753 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -56.31 -43.3 78.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -85.27 8.82 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.636 ' CG ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -104.71 -47.2 4.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.879 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.8 tp -69.7 -34.48 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' NZ ' ' NH2' ' A' ' 100' ' ' ARG . 6.1 mttt -76.07 -21.65 56.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' OE1' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.05 -28.74 60.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.995 ' O ' HD11 ' A' ' 42' ' ' ILE . 1.8 mt -81.21 -32.16 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.44 25.45 1.98 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.507 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -117.0 -143.99 7.74 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -150.75 145.49 25.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 0.716 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.721 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -112.53 124.64 52.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.921 ' H ' HD11 ' A' ' 45' ' ' ILE . 46.0 t -128.23 155.72 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.7 p -153.58 131.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 8.2 p -139.05 -167.84 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 79.58 21.5 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 1.2 tp -66.57 -154.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.29 175.3 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -75.01 -7.28 19.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.79 33.69 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.902 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.48 -36.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.568 ' CB ' HG12 ' A' ' 82' ' ' ILE . 3.1 pttt -76.1 -6.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.55 -16.55 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.1 mt -70.92 -45.13 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.64 -21.28 28.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -70.49 -34.15 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.6 ttt -80.4 -35.18 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -55.56 12.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.928 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.23 -10.79 54.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.536 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -86.3 8.92 19.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.92 -34.47 12.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -62.8 -21.51 65.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.863 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.78 -12.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.632 ' CG2' HG11 ' A' ' 79' ' ' VAL . 32.6 mm -116.84 -13.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 96' ' ' PHE . 55.7 mtt180 32.5 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -105.46 174.21 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.582 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -155.57 -145.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.819 ' O ' ' N ' ' A' ' 105' ' ' GLU . 81.5 mt-30 -155.64 97.98 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.784 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.5 t 53.22 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.819 ' N ' ' O ' ' A' ' 103' ' ' GLN . 43.8 tt0 -38.29 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -71.82 -13.43 61.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.9 pt20 -35.26 -30.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.34 -53.44 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CA ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -65.82 -17.17 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.623 1.202 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.783 HD12 HG12 ' A' ' 78' ' ' VAL . 12.6 tp -60.64 -41.34 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.959 HG23 HG11 ' A' ' 12' ' ' VAL . 3.8 m -59.18 -2.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.73 10.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 73.26 37.2 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.9 t -172.88 80.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 0.722 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 146.82 94.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -107.75 142.2 38.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.15 -167.89 37.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 177.69 136.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.66 ' N ' ' O ' ' A' ' 16' ' ' ARG . 4.7 t0 -139.99 172.46 12.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.9 mtp -157.11 134.39 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.93 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -135.17 175.09 9.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.2 t -143.25 136.85 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.726 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.51 104.53 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' O ' ' OG ' ' A' ' 11' ' ' SER . 5.0 tt0 63.01 -27.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.726 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.09 -1.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.878 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.48 121.5 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.35 108.4 20.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.666 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -73.72 126.94 31.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.841 ' HB ' HD13 ' A' ' 47' ' ' LEU . 9.6 mm -108.79 92.08 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.66 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -94.53 110.75 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.91 138.98 53.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -126.41 114.94 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.59 -131.61 2.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.777 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -125.82 153.18 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.891 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -110.35 103.69 12.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.58 164.91 35.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.483 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.6 p80 -41.03 -27.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -75.9 -55.42 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.667 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -78.29 -11.29 59.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.851 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -77.77 -26.13 49.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.33 -46.64 87.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -46.28 -49.71 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -66.54 -27.18 67.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.05 -42.37 49.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' THR . 2.1 pt20 -77.88 -31.2 51.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HB3' HD12 ' A' ' 29' ' ' LEU . 16.6 tptt -66.03 -11.89 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.918 HG22 ' HG3' ' A' ' 66' ' ' ARG . 11.5 t -77.29 -55.34 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.67 -41.07 63.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -63.2 -47.96 80.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.575 ' OG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -75.76 -23.35 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.28 -32.25 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 35.3 mt-10 -160.74 75.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.32 -48.46 61.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.8 m-20 167.41 -93.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 28.2 t70 -79.93 -120.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.68 83.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.96 -166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.909 ' O ' HD22 ' A' ' 13' ' ' LEU . 39.6 m-70 -128.22 155.09 45.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.899 HG21 ' CG1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.27 159.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.878 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -158.21 85.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.841 HD13 ' HB ' ' A' ' 15' ' ' ILE . 2.4 mm? -82.18 153.67 25.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 48' ' ' ASN . 3.4 t30 -178.28 109.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -110.01 127.59 54.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.72 -20.41 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 35.6 t0 -104.19 66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -89.28 101.84 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 t -112.63 -86.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 71.4 t80 -73.47 -67.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.891 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 34.93 82.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 8.9 t0 -104.76 -153.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -97.78 -3.77 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 22' ' ' ASP . 4.3 m -59.48 -12.56 6.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -129.78 3.44 6.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -51.86 -55.37 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.31 59.13 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.851 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -60.97 -22.36 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.2 mt -100.23 -38.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.909 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -66.12 -46.08 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.89 66.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.918 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.66 -30.57 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.73 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -59.01 -35.97 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 6.7 mmmt -86.05 -26.84 25.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -91.13 -10.25 42.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.899 ' CG1' HG21 ' A' ' 45' ' ' ILE . 6.0 tp -98.58 -34.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -74.78 -23.61 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.608 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -72.03 -34.3 68.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 0.2 OUTLIER -129.32 28.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -141.21 9.36 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 76' ' ' GLU . . . 64.95 -58.79 0.08 OUTLIER Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 112' ' ' LEU . 4.6 mm-40 -148.46 149.5 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.8 123.67 47.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 111.003 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -114.38 155.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.778 HG22 ' CE2' ' A' ' 101' ' ' PHE . 7.2 p -164.06 122.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -122.71 -170.57 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.785 ' HB3' HD23 ' A' ' 49' ' ' LEU . . . 68.84 65.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.725 HD13 ' CD1' ' A' ' 101' ' ' PHE . 10.6 tp -90.75 164.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.79 158.52 56.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.931 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -14.15 21.38 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.799 . . . . 0.0 110.976 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . . . -122.12 30.51 6.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.573 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 1.2 t -142.62 -39.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.13 -12.45 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -71.15 -24.69 62.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 57' ' ' SER . 5.0 mt -61.7 -41.93 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.709 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 30.9 m-85 -90.5 -24.05 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -75.26 -34.02 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.31 -42.01 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -55.21 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.95 9.27 40.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 98' ' ' ILE . 1.7 tp -107.56 11.65 28.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -43.34 -29.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 111.071 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -21.86 64.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -82.44 -17.68 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.909 HD11 HD12 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -108.53 -15.96 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.549 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 29.42 85.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.1 t80 -107.31 170.59 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.62 -146.7 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.884 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.3 mt-30 -148.61 90.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 107' ' ' GLN . 30.6 t 48.17 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 103' ' ' GLN . 33.4 tt0 -34.22 -33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.606 ' O ' ' N ' ' A' ' 110' ' ' LEU . 1.6 tt0 -57.13 -14.09 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -33.55 -32.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.199 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.39 -61.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.641 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -60.77 -20.84 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -53.6 -40.08 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.882 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.74 -2.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.882 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 97.36 19.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.641 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 52.37 36.17 45.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.778 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 78.9 t -151.16 70.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 150.47 97.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.955 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.714 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -170.87 140.42 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.848 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.75 -161.67 31.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.684 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.5 133.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -146.35 144.08 29.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.667 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 50.9 mtp -135.82 135.2 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.803 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.8 164.79 28.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -129.4 143.74 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.23 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.15 103.78 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 63.7 -28.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.226 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.725 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.96 0.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.93 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.7 p -94.53 121.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.26 103.05 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.701 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.29 132.06 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 108.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -120.62 96.63 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -93.79 101.17 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 29' ' ' LEU . 5.7 mt -96.2 131.95 42.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.848 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -126.69 114.83 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.714 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.35 -104.45 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.399 1.062 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HD13 ' A' ' 2' ' ' LEU . 2.4 mt-10 -146.72 156.61 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.5 OUTLIER -119.84 84.38 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -128.52 169.95 13.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.736 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -49.42 -17.25 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.657 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.736 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.5 m-70 -86.99 -49.89 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.639 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -79.62 -30.8 41.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -54.71 -36.52 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.74 -51.93 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.42 -48.74 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.6 tp -67.1 -27.41 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.61 -43.05 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' THR . 1.0 OUTLIER -78.51 -29.14 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HZ3' ' CE ' ' A' ' 6' ' ' MET . 22.8 tptt -70.36 -10.44 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.3 t -85.64 -51.66 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.05 -38.24 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.5 pp0? -57.84 -37.76 74.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.25 -27.24 42.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' CG ' ' A' ' 69' ' ' GLN . 1.1 mt -48.57 -40.73 28.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -163.89 74.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.75 -46.18 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.7 m-20 166.67 -91.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.37 -141.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.853 HD11 HG22 ' A' ' 73' ' ' ILE . 1.3 mm -122.67 80.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.945 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -81.88 -168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.941 ' O ' HD22 ' A' ' 13' ' ' LEU . 44.8 m-70 -131.27 157.61 42.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.629 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.807 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.69 157.81 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.93 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -155.87 85.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' HD11 ' A' ' 110' ' ' LEU . 3.8 mm? -83.76 152.1 24.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -179.79 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.1 117.65 34.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -24.22 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 48.2 t0 -113.59 61.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -81.87 98.71 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -103.46 -80.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 66.7 t80 -80.32 -69.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 37.44 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 10.5 t0 -106.52 -146.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -98.35 -2.01 40.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -56.03 -38.91 71.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.688 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -108.85 9.2 34.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -51.59 -41.14 60.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 0.804 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.63 47.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.818 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -55.77 -26.38 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.488 HG13 HD23 ' A' ' 29' ' ' LEU . 1.2 mt -90.63 -34.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.039 HD12 HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -69.53 -31.63 69.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -64.71 -27.43 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.5 -37.27 51.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -57.84 -46.08 85.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 8.0 mmmt -85.26 9.82 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.908 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.27 -28.36 10.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 77' ' ' MET . 10.3 tp -96.2 -35.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 12.7 mttm -76.02 -24.24 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.713 ' HG2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -73.58 -25.8 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.908 HD11 ' O ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.34 -38.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.24 29.78 0.7 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -120.41 -140.28 6.01 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -149.91 144.75 26.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.807 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 4.3 tpt -108.52 126.98 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.823 HG12 HD12 ' A' ' 110' ' ' LEU . 48.3 t -130.62 156.77 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.861 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.5 p -159.7 135.62 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 14.4 p -133.15 -169.91 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 108.256 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.54 48.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' N ' ' A' ' 83' ' ' SER . 6.7 tp -79.45 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.822 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER 179.67 163.83 0.81 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.91 20.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.35 27.25 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 1.3 t -140.28 -34.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 10.1 ttpp -69.67 -12.08 61.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -73.67 -20.3 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ASP . 4.3 mt -66.91 -45.36 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.716 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.37 -21.99 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.7 tpp -89.83 -30.9 17.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -66.41 -42.61 87.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.56 -7.84 71.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 64' ' ' LEU . 7.9 tp -87.71 12.48 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -55.93 -25.02 41.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -63.3 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.803 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -97.75 11.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 1.039 HD11 HD12 ' A' ' 64' ' ' LEU . 19.8 mm -123.93 -19.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 27.52 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.861 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -113.52 169.18 9.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -150.34 -144.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.874 ' O ' ' N ' ' A' ' 105' ' ' GLU . 65.3 mt-30 -149.49 92.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 18.8 t 50.45 -63.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.874 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.7 tt0 -34.99 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.59 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.2 tt0 -67.94 -7.56 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tt0 -35.31 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.31 -50.16 6.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.69 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.64 -22.76 67.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 78' ' ' VAL . 11.3 tp -55.87 -36.89 68.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.931 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -57.0 -7.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.015 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.64 21.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 1.001 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 45.94 49.8 12.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.4 t 179.04 74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.931 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 162.46 95.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.006 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER 154.78 140.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.82 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -112.17 -168.85 18.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -179.36 136.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -146.12 143.63 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.641 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 24.9 mtt -131.82 133.11 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.856 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -137.34 164.79 27.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.51 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -131.2 143.38 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.63 103.95 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 63.54 -28.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.2 -1.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.907 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.5 p -93.92 120.12 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.25 105.4 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.72 131.48 40.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -118.99 91.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -93.46 108.59 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.72 136.33 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.82 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.5 p -127.51 114.33 17.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.62 -116.77 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' O ' ' CB ' ' A' ' 25' ' ' THR . 4.1 mt-10 -123.94 162.5 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 0.811 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -121.02 80.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.914 ' OD2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -140.4 172.76 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.82 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -44.89 -31.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.82 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 69.6 m-70 -72.94 -50.93 20.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.63 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.006 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.2 p -76.81 -31.73 57.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.702 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -60.97 -24.4 66.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -55.26 -55.32 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.73 -47.56 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 tp -70.92 -25.51 62.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -55.62 -44.16 76.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.821 ' O ' HG23 ' A' ' 34' ' ' THR . 17.9 pt20 -77.24 -19.34 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.53 ' HE2' HD11 ' A' ' 15' ' ' ILE . 17.2 tptt -74.58 -30.4 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.7 t -64.37 -57.56 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.34 -31.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 3.3 mm100 -66.24 -42.28 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.766 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -76.5 -26.61 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.071 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.6 mt -45.04 -39.44 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -165.51 76.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -69.26 -50.73 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.9 m-20 162.31 -92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.53 -114.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.037 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.3 mm -149.32 82.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.859 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.57 -167.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.925 ' O ' HD22 ' A' ' 13' ' ' LEU . 45.7 m-70 -133.41 155.63 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.635 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.725 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.44 160.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.907 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -157.83 84.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.75 154.29 22.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -179.33 109.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.4 123.05 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.13 -21.87 16.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 24.0 t0 -103.85 67.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -92.95 125.49 37.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.692 ' N ' HD13 ' A' ' 52' ' ' LEU . 7.6 t -136.28 -89.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 56.6 t80 -56.74 -67.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.998 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 38.36 94.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 3.1 t70 -118.4 -155.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.1 p -98.69 32.03 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.519 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -92.91 -40.69 10.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.043 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -100.54 -3.7 55.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.94 -44.02 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.3 -32.78 41.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.81 -25.56 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -88.61 -34.74 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.931 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.93 -44.18 85.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.81 -23.16 43.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -82.8 -36.56 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.724 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 1.7 t80 -59.78 -46.08 90.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' CE ' HD11 ' A' ' 98' ' ' ILE . 10.3 mmmt -79.41 4.25 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -99.49 -49.25 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.775 ' HA ' HD12 ' A' ' 73' ' ' ILE . 8.4 tp -66.49 -38.09 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -77.13 -22.76 52.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -30.68 69.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.037 ' O ' HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -82.71 -22.56 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.39 22.67 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.441 1.088 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -111.34 -140.64 8.3 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.779 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -153.34 154.73 35.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 4.2 tpt -113.53 128.25 56.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 ' HA ' ' A' ' 110' ' ' LEU . 54.2 t -126.92 149.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.859 HG13 ' CD2' ' A' ' 101' ' ' PHE . 11.0 p -155.7 135.17 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 9.4 p -138.51 -167.41 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 108.246 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.49 27.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.828 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -66.86 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.177 . . . . 0.0 109.338 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.828 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER 177.3 170.92 0.41 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.098 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -131.67 24.86 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.998 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.2 t -136.22 -37.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 ptmt -73.54 -8.3 55.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -74.21 -24.66 59.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.95 -44.42 85.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.712 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 17.0 m-85 -86.11 -19.88 29.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -72.86 -34.08 66.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.72 -32.63 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t -66.2 -29.37 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.13 74.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.6 tp -120.57 9.95 10.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.712 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.29 -34.96 16.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.19 -9.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.931 HD11 HD22 ' A' ' 64' ' ' LEU . 40.5 mm -117.93 -13.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.377 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.53 87.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.859 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.34 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.614 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.02 -150.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.876 ' O ' ' N ' ' A' ' 105' ' ' GLU . 62.2 mt-30 -152.15 92.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.781 ' O ' ' N ' ' A' ' 107' ' ' GLN . 21.1 t 49.52 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.876 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -34.93 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.672 ' O ' ' N ' ' A' ' 110' ' ' LEU . 8.5 tt0 -65.23 -9.75 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.781 ' N ' ' O ' ' A' ' 104' ' ' SER . 32.6 tt0 -33.89 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -89.38 -53.27 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -64.8 -16.73 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.909 ' HA ' HG11 ' A' ' 78' ' ' VAL . 4.7 tp -57.09 -38.03 72.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.937 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.53 -5.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.918 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.4 tt 98.43 27.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.78 26.59 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 114' ' ' VAL . 28.8 t -141.01 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.937 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.68 94.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -108.05 144.59 35.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.864 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -89.29 -154.1 28.64 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.28 133.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.69 141.92 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.653 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.6 mtt -136.28 134.61 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.636 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -138.83 162.13 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.631 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -129.1 142.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.03 104.93 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.1 tt0 62.57 -26.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.69 -5.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.891 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -84.63 126.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.01 100.01 11.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.808 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.41 133.75 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.354 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -125.15 96.72 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -92.46 105.04 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -97.94 129.56 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.373 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.864 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -127.47 114.48 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.07 -119.83 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.765 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -123.52 156.69 35.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.893 HD22 HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.44 97.48 6.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.49 168.79 24.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.755 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -44.63 -25.01 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.562 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.1 m-70 -76.2 -51.71 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -81.71 -29.84 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.972 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -62.99 -14.35 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.28 -50.95 68.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.23 -50.09 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.455 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 tp -69.64 -25.98 64.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.057 . . . . 0.0 109.213 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -54.84 -45.02 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' THR . 15.9 pt20 -76.2 -36.8 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.233 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 29' ' ' LEU . 34.4 tptt -60.16 -13.63 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.4 t -69.73 -56.44 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.64 -40.32 72.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -59.8 -43.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -24.11 53.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.735 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -52.56 -34.51 50.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.15 77.07 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -69.13 -46.62 67.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.1 m-20 170.18 -94.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.83 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 73' ' ' ILE . 1.7 mm -147.74 91.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.552 ' NE ' HD23 ' A' ' 13' ' ' LEU . 2.6 mtm-85 -90.11 -165.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.034 ' CD2' HD13 ' A' ' 112' ' ' LEU . 41.6 m80 -134.66 158.36 44.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.796 HG13 HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.93 158.88 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.7 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.776 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.2 mp -83.22 152.43 25.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.589 HD22 ' HB2' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -178.32 108.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.898 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.45 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -21.08 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.769 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 37.8 t0 -103.66 67.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -94.43 123.84 38.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.367 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.675 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -133.72 -88.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.423 1.077 . . . . 0.0 109.976 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -64.09 -61.87 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 1.03 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 41.6 97.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 6.6 t70 -112.03 171.85 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.6 t -68.81 -3.67 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 5.2 m -56.89 -44.41 82.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.31 -8.11 75.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.29 -43.25 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.48 -33.49 31.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.972 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.29 -24.94 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.763 . . . . 0.0 109.202 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -88.52 -35.02 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.94 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -63.35 -42.16 98.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -54.89 -33.8 56.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.36 -42.89 71.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.715 ' CG ' ' HG3' ' A' ' 77' ' ' MET . 2.4 t80 -53.66 -46.01 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 4.1 mmmm -89.8 24.56 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.735 ' CG ' HD22 ' A' ' 37' ' ' LEU . 1.9 mp0 -118.44 -39.91 2.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 45' ' ' ILE . 4.9 tp -89.63 -27.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 4.4 mtpt -86.6 -40.69 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -71.81 -16.17 62.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.667 HG22 ' C ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -84.33 -37.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.29 38.71 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -135.42 -139.13 3.98 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.657 ' HG3' HD12 ' A' ' 112' ' ' LEU . 5.0 mm-40 -138.78 146.97 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.787 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -120.07 122.97 42.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.712 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 2.9 t -132.85 156.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.719 HG22 ' CE2' ' A' ' 101' ' ' PHE . 12.3 p -157.8 131.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 21.2 p -130.82 -171.34 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.93 74.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.774 HG23 ' N ' ' A' ' 83' ' ' SER . 2.4 tp -113.61 -144.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.774 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 174.19 166.46 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 0.96 8.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -134.02 23.09 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.03 HG22 ' SD ' ' A' ' 55' ' ' MET . 10.0 t -135.3 -36.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.547 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -73.68 -9.73 58.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.76 -26.08 63.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.14 -45.64 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.6 m-85 -85.56 -22.01 28.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -71.39 -34.79 70.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.1 ttp -85.59 -31.8 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -66.29 -39.31 89.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.48 84.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.544 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 tp -111.85 9.56 20.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.97 -34.77 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -22.94 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -86.44 -8.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.94 HD11 HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -114.75 -14.93 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 99' ' ' ILE . 7.4 ttm180 30.68 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.719 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -114.11 171.96 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.608 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -152.21 -148.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.837 ' O ' ' N ' ' A' ' 105' ' ' GLU . 52.2 mt-30 -148.24 94.25 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.6 t 53.27 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.837 ' N ' ' O ' ' A' ' 103' ' ' GLN . 23.9 tt0 -39.0 -28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.5 tt0 -74.43 -18.12 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 tp60 -33.39 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -80.69 -57.1 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.492 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -59.92 -27.11 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 47' ' ' LEU . 15.4 tp -54.0 -40.17 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.988 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -59.5 -2.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.034 HD13 ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 100.13 25.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.492 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 75.81 71.77 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 114' ' ' VAL . 0.5 OUTLIER 40.72 52.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HA ' HD21 ' A' ' 112' ' ' LEU . . . 33.88 39.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.724 ' O ' HG13 ' A' ' 114' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.51 ' O ' ' C ' ' A' ' 2' ' ' LEU . 50.6 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.048 HD12 ' HB ' ' A' ' 25' ' ' THR . 1.6 tt -32.28 137.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.767 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -114.25 -155.75 11.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 173.7 138.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -150.06 142.99 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.1 mtm -134.11 136.86 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.682 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -142.14 165.0 28.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -132.77 149.36 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.768 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -157.83 107.53 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.6 tt0 64.78 -28.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 158.63 -2.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.885 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.2 p -88.77 123.87 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD23 ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -96.83 102.44 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.227 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.809 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.13 134.95 42.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.98 96.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ASP . 1.3 mtt180 -96.41 106.88 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.63 134.35 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.767 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -126.27 112.75 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.741 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 166.03 -118.11 0.78 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.85 164.78 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.41 80.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.644 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.53 169.49 17.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.787 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -49.31 -20.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.787 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.0 m-70 -84.63 -45.79 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.048 ' HB ' HD12 ' A' ' 2' ' ' LEU . 2.4 p -80.35 -32.96 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -69.74 -20.91 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -65.94 -53.34 40.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.49 -48.85 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.7 tp -65.94 -28.65 69.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -45.95 -42.94 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 1.6 pt20 -73.35 -30.54 63.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HZ2' HG12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -73.21 -14.44 61.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' LEU . 13.7 t -83.03 -53.7 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -45.27 -38.39 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 36' ' ' SER . 4.8 pt20 -58.6 -41.94 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -76.45 -26.32 55.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -49.36 -33.89 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.6 mt-10 -163.24 73.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.35 -46.91 59.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 11.1 m-20 164.71 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -77.59 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.082 ' CD1' HG22 ' A' ' 73' ' ' ILE . 2.0 mm -147.42 85.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HE ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -82.98 -165.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.702 ' N ' ' O ' ' A' ' 11' ' ' SER . 41.2 m-70 -131.68 158.99 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.643 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.688 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.33 158.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.63 88.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.465 1.103 . . . . 0.0 109.191 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.983 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.5 154.22 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.8 t30 -178.03 107.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.93 125.39 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.17 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.623 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.8 t0 -105.1 67.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -95.51 126.23 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.621 ' N ' HD13 ' A' ' 52' ' ' LEU . 16.2 t -138.92 -87.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.715 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 68.1 t80 -54.81 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.16 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.715 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -116.78 -149.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.4 p -93.67 29.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.514 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -94.51 -59.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.17 -11.2 73.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.437 1.086 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.47 -42.63 54.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.65 -34.61 30.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.11 -24.24 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.829 HG13 HH21 ' A' ' 66' ' ' ARG . 0.8 OUTLIER -91.51 -38.73 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.955 ' HB2' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.81 -29.79 64.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.849 ' N ' HD13 ' A' ' 64' ' ' LEU . . . -70.77 -13.87 72.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.829 HH21 HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -85.21 -43.05 14.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.695 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.5 t80 -54.14 -47.06 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.47 1.23 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -103.75 -48.39 3.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.887 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.0 tp -67.46 -33.27 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 32.2 mttt -75.71 -22.72 56.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG2' HG13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -80.85 -23.77 38.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.082 HG22 ' CD1' ' A' ' 42' ' ' ILE . 6.5 mt -81.04 -40.29 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.1 34.91 0.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -129.67 -145.92 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.565 ' HG3' HD22 ' A' ' 112' ' ' LEU . 4.1 mm-40 -143.09 147.46 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.646 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.38 130.44 50.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.942 HG13 HD12 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -122.07 157.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 ' CE2' ' A' ' 101' ' ' PHE . 8.4 p -166.77 121.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.802 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.6 p -128.02 -169.45 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.227 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.89 37.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -65.31 178.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.01 158.63 21.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.87 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.98 25.38 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.9 t -134.71 -38.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -74.04 -10.18 59.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -67.06 -30.12 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.46 -39.51 85.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.613 ' HB3' ' CG ' ' A' ' 96' ' ' PHE . 97.1 m-85 -82.91 -23.51 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.7 -35.65 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.1 ttp -89.66 -20.49 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t -66.62 -37.89 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.77 5.35 74.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.5 tp -114.52 10.93 16.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CG ' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.43 -36.06 9.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -60.26 -22.35 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.022 HG22 HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -80.51 -30.22 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 98' ' ' ILE . 1.3 mp -93.49 -14.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER 29.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.701 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -103.44 167.48 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.602 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -139.98 -148.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.877 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.6 mt-30 -151.57 94.7 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.662 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.2 t 50.08 -62.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.027 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.1 tt0 -36.24 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.613 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.2 tt0 -61.76 -10.51 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -33.9 -31.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.69 -55.9 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.696 HD13 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -62.83 -16.93 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 47' ' ' LEU . 12.4 tp -57.09 -40.64 77.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.868 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -56.38 -6.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.477 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.014 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.94 21.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 1.012 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.95 49.76 9.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.6 t -179.28 73.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 0.795 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.868 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 159.81 99.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.778 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -151.09 142.05 22.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.841 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.83 -163.92 35.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.709 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.63 130.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -138.33 156.38 47.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.674 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 82.8 mtp -148.47 133.79 18.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -144.02 140.84 29.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -110.73 144.96 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.933 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -154.32 107.87 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.0 tt0 65.76 -25.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 155.21 -5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 9' ' ' LYS . 12.0 p -86.91 124.88 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.63 98.01 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.6 m -73.63 130.57 40.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -122.02 101.9 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -95.14 101.97 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD21 HG12 ' A' ' 4' ' ' ILE . 6.9 mt -96.29 130.53 43.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.841 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.62 113.75 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.11 -113.57 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -123.68 160.2 27.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.06 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -121.51 80.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.1 p-10 -139.97 177.8 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.766 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -47.38 -29.25 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.766 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 76.6 m-70 -70.91 -54.02 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.778 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.4 p -78.2 -28.81 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -66.44 -15.54 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -72.87 -46.74 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -46.15 -48.54 17.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.811 ' C ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.35 -28.2 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -48.5 -42.45 32.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.648 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 pt20 -75.29 -31.54 60.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 29' ' ' LEU . 9.1 tmtm? -66.41 -12.69 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.723 HG13 ' HG2' ' A' ' 66' ' ' ARG . 13.9 t -75.59 -55.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.64 -38.32 60.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 15.3 mt-30 -62.86 -46.18 89.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -23.87 53.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.59 -39.45 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 63.0 mt-10 -161.97 72.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.4 ttpt -71.41 -47.32 56.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.4 m-20 166.79 -92.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.66 -116.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.041 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.3 mm -149.77 86.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.2 -165.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.853 ' CE1' HD22 ' A' ' 112' ' ' LEU . 42.0 m-70 -132.86 159.36 40.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.854 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -110.46 161.51 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 46' ' ' VAL . 1.2 t -158.06 84.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.675 HD21 HH22 ' A' ' 66' ' ' ARG . 3.7 mm? -81.86 151.65 27.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -176.95 108.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.06 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.1 125.57 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -22.92 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.688 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 26.0 t0 -104.73 66.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.44 125.1 36.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.714 ' N ' HD13 ' A' ' 52' ' ' LEU . 11.6 t -137.55 -87.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 2.3 t80 -62.36 -60.85 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 1.008 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 37.89 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.5 t70 -108.36 171.03 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -69.65 -4.22 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.499 ' HB3' ' N ' ' A' ' 23' ' ' HIS . 62.4 m -55.09 -38.21 67.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.19 -10.56 58.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.34 -45.19 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.22 -34.12 33.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.48 HG22 HD12 ' A' ' 99' ' ' ILE . 1.1 mt -93.74 -38.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.25 -49.38 64.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -57.66 -24.7 53.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.936 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -81.99 -30.5 31.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.2 t80 -62.18 -42.6 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.7 -31.19 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.486 ' CD ' ' CD1' ' A' ' 37' ' ' LEU . 2.4 mm-40 -77.18 -50.59 12.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 77' ' ' MET . 6.0 tp -55.84 -35.63 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -75.06 -28.15 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.405 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -72.49 -12.23 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.041 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.8 mm -79.87 -32.64 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.76 21.18 5.11 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -126.76 -133.42 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.731 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -156.52 157.59 35.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 1.03 ' HB2' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -122.4 131.22 53.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.88 HG11 ' HA ' ' A' ' 110' ' ' LEU . 67.7 t -126.02 151.46 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.848 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.7 p -150.24 132.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 30.5 p -137.56 -169.09 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.03 29.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.3 tp -67.33 -149.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.834 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.16 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.43 21.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.09 30.92 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.008 HG22 ' SD ' ' A' ' 55' ' ' MET . 4.3 t -143.75 -37.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -74.87 -9.24 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.62 -17.36 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 6.3 mt -70.48 -44.97 66.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.716 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 22.0 m-85 -85.18 -21.87 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.17 -34.17 72.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.4 ttp -90.42 -26.63 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -66.82 -32.18 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.87 18.5 78.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.511 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.4 tp -123.1 9.17 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.62 -33.44 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.1 -23.48 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.797 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -83.04 -10.54 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 45.5 mm -116.4 -14.38 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER 32.75 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -104.37 173.69 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.41 -146.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.882 ' O ' ' N ' ' A' ' 105' ' ' GLU . 69.9 mt-30 -154.99 94.72 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' ' 107' ' ' GLN . 27.7 t 48.81 -63.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -34.71 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.607 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -64.76 -9.41 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tp-100 -33.64 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -84.7 -53.98 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -64.9 -18.93 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.88 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.37 -42.68 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.955 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -56.07 -4.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.356 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.853 HD22 ' CE1' ' A' ' 44' ' ' HIS . 3.1 tt 96.87 26.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 41.49 25.55 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.18 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.772 ' HB ' HD23 ' A' ' 112' ' ' LEU . 53.8 t -148.3 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.955 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 160.71 95.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.995 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.873 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -134.63 144.05 47.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -101.24 -169.04 28.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 175.53 135.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -141.89 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.8 mtp -156.17 136.16 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.942 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.9 173.67 11.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -139.16 132.2 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.752 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -141.58 104.31 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.4 tt0 62.29 -26.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.752 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.51 -5.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.938 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -92.12 121.38 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -95.47 106.47 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.687 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -73.24 127.95 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.381 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.7 mp -114.52 98.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -97.69 108.5 21.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -115.27 133.53 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.099 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.2 p -124.0 114.85 20.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.676 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.32 -111.21 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.09 159.9 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.3 OUTLIER -125.03 94.24 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -141.27 165.79 26.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.747 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -41.61 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.747 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.2 m-70 -86.77 -55.32 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.873 ' HB ' HD13 ' A' ' 2' ' ' LEU . 9.0 p -78.78 -2.5 39.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -79.34 -35.68 40.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.31 -49.15 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -44.85 -45.02 9.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.35 -28.53 62.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.25 -43.5 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 34' ' ' THR . 5.2 pt20 -59.93 -36.45 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.0 tptt -67.87 -18.15 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.718 HG12 ' CD2' ' A' ' 37' ' ' LEU . 17.1 t -70.11 -56.46 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.61 -41.97 61.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.566 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 mt-30 -60.94 -46.3 91.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.886 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.23 -23.15 54.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.937 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.24 -35.36 36.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 6.3 mt-10 -168.82 79.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.88 -50.87 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 150.37 -82.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.1 t0 -73.75 -130.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.899 HD11 ' O ' ' A' ' 73' ' ' ILE . 11.6 mm -144.0 77.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.64 -166.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.972 ' CG ' HD22 ' A' ' 112' ' ' LEU . 36.0 m80 -134.83 160.43 38.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.928 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -109.03 158.62 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.938 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -157.18 86.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 1.6 mp -80.16 156.47 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.534 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -175.53 110.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.686 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.08 125.8 46.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -23.65 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' HA2' ' A' ' 19' ' ' GLY . 18.1 t0 -118.68 63.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.714 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -85.61 103.1 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 t -109.11 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.735 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 86.1 t80 -85.62 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 38.0 85.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.735 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.2 t70 -108.84 -149.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 77.7 p -100.65 -0.38 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 2.9 m -63.2 -12.03 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.63 10.0 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.79 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.39 -54.39 32.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -56.31 -37.86 75.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -61.54 -20.58 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.38 -32.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -75.48 -24.07 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -75.71 -15.61 81.18 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -91.9 -37.33 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 0.824 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.6 t80 -56.71 -45.27 81.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 2.4 mtmt -81.07 8.02 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 37' ' ' LEU . 1.4 tp-100 -102.3 -47.44 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 73' ' ' ILE . 9.0 tp -66.35 -35.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.62 -23.72 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -28.39 62.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.899 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.5 mt -81.66 -36.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.21 36.69 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.46 -138.67 4.16 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -162.0 147.26 13.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.928 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 5.0 tpt -108.0 130.45 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.926 HG12 HD23 ' A' ' 110' ' ' LEU . 21.9 t -128.85 149.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.944 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.8 p -145.82 138.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HD11 ' A' ' 110' ' ' LEU . 1.8 p -126.33 -165.24 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.14 43.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.875 HD11 ' CB ' ' A' ' 87' ' ' LYS . 5.6 tp -61.91 170.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.54 163.8 17.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.23 42.45 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.695 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -154.16 -37.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.875 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -76.62 -8.55 57.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -80.69 -16.48 53.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' ASP . 6.7 mt -73.0 -41.47 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.79 ' CE2' HD21 ' A' ' 60' ' ' LEU . 16.0 m-85 -87.69 -20.64 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.81 -34.15 66.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -39.87 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -66.4 -29.95 70.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.1 1.92 57.44 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -95.65 9.7 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.08 -39.13 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -61.08 -20.41 62.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.743 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.64 -18.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.727 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -114.09 -11.63 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER 36.48 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.944 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.2 t80 -114.0 167.72 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -143.13 -134.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 105' ' ' GLU . 4.0 mt-30 -155.72 108.96 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.58 ' O ' ' N ' ' A' ' 106' ' ' GLN . 5.3 t 49.75 -76.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -31.92 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.757 ' HB2' ' HB3' ' A' ' 102' ' ' GLU . 2.8 tt0 -47.04 -24.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 1.044 ' HA ' HD12 ' A' ' 110' ' ' LEU . 31.4 tt0 -42.8 -20.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -92.0 -42.19 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.732 HD23 ' NE2' ' A' ' 106' ' ' GLN . 33.5 tp -72.94 -22.31 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.044 HD12 ' HA ' ' A' ' 107' ' ' GLN . 75.7 mt -55.22 -46.54 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.002 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -55.29 -2.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.451 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.002 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 99.09 18.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.13 19.91 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.4 t -149.21 80.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.979 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 163.69 93.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -177.84 140.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.869 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.69 -159.78 23.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 177.71 134.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.537 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -133.16 163.59 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 23.7 mtm -152.15 139.4 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.937 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.1 175.73 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.1 t -145.07 138.94 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.714 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.45 104.36 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.2 tt0 63.51 -29.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.714 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.51 -4.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.913 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.66 121.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -79.83 124.98 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.974 HG22 HD21 ' A' ' 17' ' ' LEU . 1.2 mp -113.94 101.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -91.25 117.29 29.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.974 HD21 HG22 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -102.14 127.07 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.06 115.68 18.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.79 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 144.7 -121.08 1.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.943 ' O ' HD13 ' A' ' 2' ' ' LEU . 1.1 mt-10 -126.03 157.54 37.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.712 ' CD2' HD13 ' A' ' 49' ' ' LEU . 1.2 mm? -121.14 99.94 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -149.28 165.19 32.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.491 ' N ' ' HB2' ' A' ' 58' ' ' SER . 1.9 p80 -41.7 -25.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.482 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -81.85 -56.3 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.553 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' HD22 ' A' ' 2' ' ' LEU . 25.6 p -79.85 -9.07 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -78.06 -15.18 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.53 -45.77 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -43.77 -48.13 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.844 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.1 tptt -56.81 -43.73 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' THR . 14.8 pt20 -74.26 -35.76 63.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 110.203 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 tptt -61.86 -13.54 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 29' ' ' LEU . 14.8 t -74.97 -55.02 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.14 -38.85 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 31' ' ' GLN . 8.6 mt-30 -61.52 -45.44 94.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.658 ' HA ' HH21 ' A' ' 43' ' ' ARG . 0.2 OUTLIER -76.7 -23.12 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 0.0 110.036 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.838 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -48.5 -33.31 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 32.6 mt-10 -160.9 76.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.99 -49.16 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.7 m-20 164.19 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.0 t70 -79.38 -111.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.021 HD11 ' O ' ' A' ' 73' ' ' ILE . 2.0 mm -148.41 80.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.79 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.05 -170.94 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.923 ' CE1' HD22 ' A' ' 112' ' ' LEU . 55.2 m-70 -128.59 159.14 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.521 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.31 161.01 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' CG2' ' A' ' 12' ' ' VAL . 2.0 t -157.52 83.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.642 ' O ' HD21 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -83.62 153.51 24.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 110' ' ' LEU . 17.4 p-10 178.09 112.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.967 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.34 124.65 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -22.36 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 42.0 t0 -103.64 62.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.827 ' HA ' HD11 ' A' ' 49' ' ' LEU . 1.3 tm? -83.22 108.09 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.3 t -109.44 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 42.4 t80 -70.56 -79.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.926 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.55 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 5.3 t70 -112.23 -145.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD21 ' A' ' 89' ' ' LEU . 1.5 p -93.31 26.7 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -90.8 -55.31 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -85.82 -6.55 82.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.878 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.09 -42.67 60.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.95 -33.64 36.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.84 -23.85 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.0 mt -95.79 -31.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -73.67 -27.25 61.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.4 -14.32 77.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -91.04 -35.04 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.702 ' CD2' ' HB3' ' A' ' 77' ' ' MET . 2.0 t80 -60.93 -47.79 84.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -5.84 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.838 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -97.32 -50.3 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 77' ' ' MET . 3.8 tp -63.72 -32.31 56.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -73.05 -27.49 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.68 ' HG2' HD13 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -76.72 -16.6 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.021 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.7 mm -80.68 -33.74 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.72 18.71 3.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -119.48 -135.66 5.12 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.736 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -155.7 153.79 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.702 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.88 127.62 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.955 HG11 ' HA ' ' A' ' 110' ' ' LEU . 42.2 t -126.27 148.23 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.982 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.8 p -155.05 135.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 13.9 p -138.43 -169.6 2.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.92 40.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.827 HG23 ' N ' ' A' ' 83' ' ' SER . 5.3 tp -66.5 -146.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.827 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -177.89 162.23 1.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.5 18.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.01 30.61 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 52' ' ' LEU . 1.1 t -145.9 -35.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.536 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 4.0 ttpt -65.81 -18.89 65.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -65.3 -21.91 66.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.507 HD21 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -65.54 -46.8 78.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.878 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.7 m-85 -84.6 -23.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -69.79 -34.44 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.7 ttp -90.22 -26.53 20.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -65.92 -42.98 89.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.94 86.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.09 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.9 tp -112.1 10.2 20.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 0.734 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -48.14 -33.29 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -61.75 -24.28 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.694 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.37 -9.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.652 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.8 mm -116.02 -13.3 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 31.03 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.982 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -103.39 171.23 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -145.54 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.866 ' O ' ' N ' ' A' ' 105' ' ' GLU . 49.9 mt-30 -152.21 92.69 1.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.79 ' O ' ' N ' ' A' ' 107' ' ' GLN . 25.3 t 49.73 -63.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.866 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.4 tt0 -34.52 -31.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' A' ' 110' ' ' LEU . 7.5 tt0 -65.65 -10.13 33.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.79 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.0 tp-100 -33.78 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.99 -53.66 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.58 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.91 -18.81 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.955 ' HA ' HG11 ' A' ' 78' ' ' VAL . 5.1 tp -55.77 -36.25 67.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.941 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -57.35 -5.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.923 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.7 tt 97.67 26.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.58 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.22 26.19 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.714 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 36.2 t -145.37 71.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.941 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.43 95.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 3.7 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.909 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER 70.48 131.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.832 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -144.62 79.64 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.82 HD12 ' H ' ' A' ' 5' ' ' ASP . 3.0 tp -70.59 151.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.82 ' H ' HD12 ' A' ' 4' ' ' ILE . 26.7 t0 -141.51 170.41 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.608 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 34.7 mtp -156.96 134.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.672 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -143.52 164.69 29.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -133.41 142.21 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.731 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.11 104.74 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.28 -27.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.738 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 161.57 -3.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.884 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -88.28 120.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.06 102.94 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.717 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.76 131.54 37.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 14' ' ' CYS . 1.6 mp -120.48 90.78 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -88.25 101.69 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 49' ' ' LEU . 1.9 tm? -103.39 124.9 49.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.832 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -127.9 110.38 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.909 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.42 -120.17 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' CB ' HG21 ' A' ' 25' ' ' THR . 0.1 OUTLIER -123.55 163.01 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD21 HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.3 88.74 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -142.04 169.23 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.725 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -47.77 -16.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.555 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.725 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.1 m-70 -95.79 -52.88 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.646 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.797 ' HB ' HD13 ' A' ' 2' ' ' LEU . 18.2 p -79.91 -20.72 45.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.15 -14.45 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -62.28 -46.97 86.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -43.16 -47.84 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.6 tp -72.67 -29.98 63.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -51.97 -43.41 63.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' THR . 17.5 pt20 -77.62 -33.34 53.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -63.76 -12.1 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' LEU . 11.8 t -75.52 -54.6 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -54.0 -39.06 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 19.9 mt-30 -62.73 -47.46 83.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -76.05 -23.49 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.755 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -51.34 -34.13 32.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -165.26 76.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.252 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HZ3' HD23 ' A' ' 13' ' ' LEU . 8.0 ttpt -69.96 -47.12 63.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 165.86 -91.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.78 -140.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -125.95 82.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.63 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.62 -166.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.918 ' CD2' HD13 ' A' ' 112' ' ' LEU . 30.6 m170 -127.8 159.98 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.62 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.227 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.56 157.67 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.884 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -159.01 84.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 110' ' ' LEU . 3.7 mm? -83.44 153.1 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -176.72 107.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.63 122.49 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.95 -22.97 16.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 19' ' ' GLY . 15.5 t70 -121.45 66.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -96.18 113.66 25.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -129.31 -88.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.648 ' CD2' ' OD1' ' A' ' 22' ' ' ASP . 59.2 t80 -47.56 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.865 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.43 87.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -100.47 -146.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -94.84 12.5 27.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.567 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -78.98 -61.07 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -78.56 -19.28 74.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.21 -44.47 53.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.24 -32.3 39.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -24.17 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -88.92 -34.68 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.62 -46.25 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.01 -9.77 42.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 70' ' ' ILE . 2.1 mtp180 -100.29 -34.03 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CE1' ' HA ' ' A' ' 99' ' ' ILE . 2.5 t80 -54.91 -35.19 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.64 -25.83 22.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.68 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -94.28 -9.57 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.763 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.5 tp -98.31 -36.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 1.2 mttt -72.42 -22.91 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.609 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.609 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -132.18 33.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -142.83 4.71 1.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . 66.38 -59.26 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.977 ' O ' HD12 ' A' ' 45' ' ' ILE . 12.9 mm-40 -144.41 147.36 33.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.812 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.97 125.82 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.888 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.1 t -125.1 158.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.63 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.0 p -166.89 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 110' ' ' LEU . 17.7 p -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.58 40.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 83' ' ' SER . 3.7 tp -76.44 -144.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.788 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -177.87 161.94 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.69 11.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.39 27.07 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.913 HG21 HD12 ' A' ' 52' ' ' LEU . 3.0 t -139.45 -36.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.527 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.15 -9.58 58.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' N ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -71.02 -23.12 62.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.344 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 89' ' ' LEU . 2.4 mt -64.05 -46.14 85.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.729 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 20.1 m-85 -85.74 -21.64 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -71.36 -34.23 70.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ttt -83.92 -35.26 24.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t -65.46 -46.17 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.34 79.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.6 tp -94.07 10.65 32.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.81 -32.7 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.6 -22.35 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.696 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.17 -11.64 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.1 mm -115.37 -14.32 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER 32.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.66 171.49 7.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.0 -145.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.222 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.849 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.8 mt-30 -157.68 99.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.772 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.2 t 51.42 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.8 tt0 -38.16 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.6 tt0 -72.54 -23.0 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.237 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.8 tp60 -33.35 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -83.77 -62.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -59.46 -16.89 26.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.888 ' CA ' HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.9 -37.34 76.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.09 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -59.99 -0.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.96 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 105.63 16.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 109' ' ' LEU . . . 75.6 -4.71 41.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 115' ' ' ALA . 2.8 t -122.4 -139.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 1.09 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 35.44 39.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.724 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 59.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.825 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 tp 143.19 138.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.876 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -108.73 -156.11 17.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.567 1.167 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.92 134.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -145.43 144.82 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.698 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.1 mtp -137.76 136.05 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.806 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.62 164.56 28.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -127.83 140.59 48.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.55 103.75 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.3 tt0 63.41 -29.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.24 -2.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.951 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.0 p -91.87 123.48 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.806 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.74 101.8 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.698 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -71.56 130.23 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.2 mp -117.65 95.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 1.1 ttt180 -90.48 99.28 12.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -94.01 129.61 40.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.876 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.07 114.93 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.84 -118.99 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.3 mt-10 -129.54 155.74 45.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.734 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.012 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -117.4 83.8 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 1.038 ' OD1' HG23 ' A' ' 25' ' ' THR . 26.3 p30 -130.22 177.32 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.742 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.0 p80 -55.22 -16.56 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.742 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.4 m-70 -88.15 -47.84 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.038 HG23 ' OD1' ' A' ' 22' ' ' ASP . 6.6 p -78.48 -33.23 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.066 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.18 -46.12 68.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -53.51 -51.0 64.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 110.352 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 25' ' ' THR . 14.5 m -44.44 -46.64 9.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.069 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -68.42 -30.56 69.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.735 ' CD ' HH21 ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.38 -44.38 62.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.606 ' O ' ' CG2' ' A' ' 34' ' ' THR . 2.7 pt20 -73.63 -33.89 64.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HE2' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -73.37 -12.87 60.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.069 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.6 t -88.68 -52.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.606 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -43.12 -33.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' OE1' ' HA ' ' A' ' 32' ' ' LYS . 78.8 mt-30 -66.75 -46.25 76.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.513 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -77.85 -24.34 48.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.947 HD23 HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.13 -32.46 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 56.9 mt-10 -160.45 74.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HZ2' ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -70.99 -43.17 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.0 m-20 159.99 -84.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 40.7 t0 -74.6 -130.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -138.25 86.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.688 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 1.7 mtt85 -84.45 -166.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.953 ' CG ' HD22 ' A' ' 112' ' ' LEU . 32.1 m80 -128.59 162.59 26.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.241 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.36 155.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.951 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -158.68 85.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.891 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -83.11 152.5 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -177.1 109.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.724 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -100.33 119.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.97 -23.24 18.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 54.7 t0 -114.42 63.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.907 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -84.44 104.63 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 t -111.62 -85.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 30.3 t80 -75.19 -61.09 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . 1.012 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 31.77 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.072 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.8 t70 -99.39 -152.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -100.12 2.89 43.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -53.46 -36.74 61.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.72 7.98 31.86 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.678 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -50.41 -45.96 55.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.77 79.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -21.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.88 -40.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -69.18 -47.59 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.32 -12.21 63.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 1.01 ' CG ' HG11 ' A' ' 33' ' ' VAL . 1.2 mpt_? -98.64 -43.38 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -41.37 -37.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 5.0 mmmt -81.2 -34.56 32.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.743 ' O ' HD12 ' A' ' 73' ' ' ILE . 2.7 mt-30 -79.32 -45.93 18.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.854 HG22 ' O ' ' A' ' 66' ' ' ARG . 6.3 tp -65.54 -25.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 77' ' ' MET . 0.2 OUTLIER -72.8 -44.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.572 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -52.75 -38.55 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -124.71 35.05 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -139.93 -0.28 1.99 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.66 -59.77 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 45' ' ' ILE . 21.1 mm-40 -144.88 147.9 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.796 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.757 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.25 119.66 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.876 ' H ' HD11 ' A' ' 45' ' ' ILE . 21.1 t -131.01 151.64 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.757 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.5 p -151.25 135.44 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.716 ' HB3' HD13 ' A' ' 110' ' ' LEU . 13.9 p -125.43 -168.29 1.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.06 50.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.0 tp -70.25 172.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.87 162.0 23.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -124.31 45.25 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 52' ' ' LEU . 1.4 t -158.55 -35.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.744 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -80.37 -3.89 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.573 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -83.56 -16.51 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.573 ' CD1' ' NH1' ' A' ' 88' ' ' ARG . 17.3 mt -73.78 -42.36 61.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 13.3 m-85 -87.26 -18.71 29.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -74.5 -34.26 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.91 -40.89 19.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -33.47 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.7 -1.85 60.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.7 tp -90.72 10.72 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.02 -32.88 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -62.62 -21.77 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.753 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.57 -9.86 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -115.3 -14.51 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER 32.49 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.757 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.3 t80 -111.49 170.38 8.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.642 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -143.61 -145.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.2 mt-30 -148.51 88.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.761 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.4 t 48.9 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -35.06 -30.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.8 tt0 -66.42 -6.08 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 104' ' ' SER . 43.6 tp60 -35.95 -29.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.85 -47.83 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.701 HD22 ' HA2' ' A' ' 113' ' ' GLY . 0.2 OUTLIER -60.97 -29.12 69.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 47' ' ' LEU . 7.3 tp -49.54 -43.0 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -59.84 -0.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.953 HD22 ' CG ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.27 18.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.701 ' HA2' HD22 ' A' ' 109' ' ' LEU . . . 49.0 20.16 1.79 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -150.05 78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.45 0.736 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 163.12 96.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.802 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 9.4 tp 70.89 136.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -106.1 -151.98 19.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER 176.46 135.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.33 144.14 31.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 25.2 mtm -137.39 134.53 36.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -139.71 165.87 26.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -131.71 144.02 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.738 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.86 104.66 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 tt0 63.36 -26.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.738 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.86 -5.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.92 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.6 p -86.3 126.42 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.665 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.4 102.76 14.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.774 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.2 134.08 41.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -123.39 91.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -87.2 103.84 15.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.813 HD11 HD22 ' A' ' 29' ' ' LEU . 22.8 mt -96.87 130.81 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.833 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.21 114.27 16.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.802 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.17 -120.2 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.5 OUTLIER -124.18 159.56 29.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HA ' ' HG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER -117.93 93.11 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.952 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.3 p30 -148.64 169.03 21.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.56 -28.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' ASP . 7.8 m80 -74.81 -57.23 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.952 HG23 ' OD1' ' A' ' 22' ' ' ASP . 17.6 p -77.82 -14.96 59.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.72 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.16 -15.03 61.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -69.58 -44.97 69.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -45.34 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -70.88 -27.23 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.33 -42.77 96.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' THR . 17.7 pt20 -78.74 -22.67 46.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 23.7 tptt -72.24 -24.76 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.1 t -64.27 -59.51 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -45.76 -31.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.6 ' OE1' HG23 ' A' ' 34' ' ' THR . 3.5 mm100 -68.58 -44.4 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -76.4 -23.46 54.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -48.69 -35.51 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -164.27 75.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -71.77 -48.55 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.7 m-20 168.05 -93.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.25 -114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.044 ' CD1' HG22 ' A' ' 73' ' ' ILE . 5.2 mm -147.38 80.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -77.86 -168.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.699 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 36.4 m-70 -131.23 159.5 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.233 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -101.45 158.23 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.92 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.02 85.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.479 HD11 ' NH2' ' A' ' 66' ' ' ARG . 3.6 mm? -83.85 151.55 25.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.484 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.0 p30 -179.43 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.61 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -21.3 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.7 t0 -106.63 67.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.839 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -93.26 124.51 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 2.0 t -134.84 -88.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.4 t80 -62.88 -60.71 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.967 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.15 94.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.665 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 8.3 t70 -113.74 171.2 7.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 9.6 p -69.79 -2.35 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.497 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.5 m -56.55 -40.17 74.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' HA2' ' HB1' ' A' ' 26' ' ' ALA . . . -92.58 -7.99 62.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.45 -43.3 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.07 -34.55 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -63.31 -24.43 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 0.814 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -34.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.028 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.41 -39.95 85.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.2 -22.77 44.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.579 1.174 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.688 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -87.64 -51.35 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.676 ' CE2' ' HA ' ' A' ' 99' ' ' ILE . 1.7 t80 -40.79 -37.65 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -79.6 -37.2 36.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.802 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.0 -46.81 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.0 HG21 ' HB3' ' A' ' 77' ' ' MET . 4.9 tp -55.57 -46.59 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -70.86 -22.96 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -70.41 -24.83 62.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.044 HG22 ' CD1' ' A' ' 42' ' ' ILE . 3.0 mt -81.45 -31.88 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 20.53 7.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.05 -143.61 12.13 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.754 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.6 mm-40 -141.96 148.36 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 1.0 ' HB3' HG21 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -116.3 124.9 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.872 ' N ' HD11 ' A' ' 45' ' ' ILE . 67.8 t -132.63 144.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.779 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.5 p -145.39 133.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -136.18 -170.04 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.11 47.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.815 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -90.55 -150.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.815 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 179.22 169.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.892 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.59 12.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -132.02 23.83 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.776 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.6 t -136.02 -37.23 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' CB ' HG12 ' A' ' 82' ' ' ILE . 8.7 pttm -72.28 -10.4 59.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -69.02 -28.07 66.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.5 -46.18 84.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.705 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 31.9 m-85 -86.45 -26.86 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.77 -33.96 74.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 20.8 ttt -81.17 -33.44 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -49.07 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.66 47.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.898 HD13 ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.45 11.56 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 0.0 109.327 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -45.64 -26.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -22.61 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.898 ' CG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.18 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 1.028 HD11 HD22 ' A' ' 64' ' ' LEU . 19.5 mm -114.8 -17.15 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 14.4 ttm-85 30.09 89.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.779 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -142.78 -146.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.852 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.5 mt-30 -154.54 95.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 107' ' ' GLN . 15.5 t 49.99 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.852 ' N ' ' O ' ' A' ' 103' ' ' GLN . 4.0 tt0 -34.7 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.1 tt0 -62.12 -12.66 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.72 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -34.24 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.71 -56.29 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.676 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -64.84 -12.17 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -62.78 -38.14 89.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.881 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -57.84 -6.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 110.46 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.993 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.48 23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 42.82 52.58 5.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER 176.27 81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.353 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.0 96.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.604 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 65.9 m . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.699 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 tp 155.8 141.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -103.72 -176.45 25.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER 179.47 131.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.644 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 t70 -134.86 171.24 14.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mtm -155.46 132.94 11.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.868 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.46 166.98 23.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.509 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -131.75 142.82 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.712 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.63 103.79 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.0 tt0 63.98 -28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.712 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.61 -2.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.963 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -93.97 120.0 42.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.54 107.18 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -74.66 137.85 42.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.7 mp -126.96 96.58 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.359 1.037 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.644 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -98.39 110.82 23.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.74 138.11 52.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.747 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.4 p -129.18 114.57 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.652 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 165.63 -118.43 0.8 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.458 1.098 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.05 162.56 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 0.802 . . . . 0.0 110.301 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.22 84.59 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.16 170.3 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' CB ' ' A' ' 58' ' ' SER . 3.1 p80 -45.53 -27.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.5 -50.41 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.699 ' HB ' HD13 ' A' ' 2' ' ' LEU . 1.4 p -79.49 -28.42 41.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.21 -17.83 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -68.21 -46.81 69.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 110.223 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -45.79 -48.57 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -65.77 -29.57 70.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.6 -43.55 12.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 34' ' ' THR . 3.2 pt20 -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 39.2 tptt -66.74 -12.29 58.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.821 HG12 HD13 ' A' ' 37' ' ' LEU . 37.4 t -77.51 -55.55 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -50.46 -39.77 48.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 10.0 mt-30 -65.65 -49.05 70.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.616 ' OG ' HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -76.38 -24.42 54.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -50.46 -36.04 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 33.4 mt-10 -160.37 73.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.2 ptpt -72.87 -40.82 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.598 1.186 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 152.1 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -77.22 -139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -133.75 85.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.878 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.08 -168.08 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.918 ' O ' HD22 ' A' ' 13' ' ' LEU . 54.8 m-70 -127.93 159.7 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.09 161.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.963 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.22 86.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.913 HD11 ' HE3' ' A' ' 77' ' ' MET . 12.8 mt -85.7 154.99 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.43 108.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.82 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -111.91 127.4 55.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -22.1 13.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.618 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 32.5 t0 -104.74 67.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -96.57 125.68 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.683 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.1 t -139.67 -86.12 0.22 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.676 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 80.1 t80 -54.28 -70.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 1.006 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.48 91.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.676 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 6.8 t0 -112.64 -151.18 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 33.0 t -95.89 29.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.47 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -87.57 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -83.43 -16.27 69.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.882 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -44.94 61.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.373 0.69 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.86 -34.87 32.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.574 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.46 -21.53 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.726 . . . . 0.0 109.227 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.6 mt -98.44 -38.14 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -63.45 -50.18 70.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -25.39 71.89 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -84.29 -43.01 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -39.68 -44.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -70.82 -41.0 72.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.966 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -72.5 -48.45 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.634 ' CG1' HG21 ' A' ' 45' ' ' ILE . 8.7 tp -61.64 -27.93 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HD2' ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -75.35 -31.26 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.582 ' HG2' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -69.74 -30.7 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -130.87 32.7 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.598 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -150.89 12.56 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 61.52 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.646 ' CG ' HD11 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -148.62 150.27 32.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.913 ' HE3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -104.23 131.14 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -121.11 157.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.233 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 101' ' ' PHE . 12.6 p -163.3 124.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 p -125.51 -170.68 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.53 34.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.7 OUTLIER -59.75 179.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -161.08 159.0 24.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.89 6.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -136.77 26.23 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.006 HG22 ' SD ' ' A' ' 55' ' ' MET . 13.9 t -134.31 -39.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 52.5 pttt -71.79 -10.48 59.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.69 -25.85 64.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.2 mt -67.99 -45.52 73.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.882 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 44.1 m-85 -82.52 -19.42 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -70.84 -35.78 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 mtt -88.92 -27.09 21.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.913 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.07 21.0 67.55 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.83 HD22 ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.81 12.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -42.08 -30.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -22.38 65.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.83 ' HB ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.65 -8.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.699 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 31.6 mm -114.91 -15.75 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 30.79 88.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -111.9 166.87 10.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -135.19 -146.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.904 ' O ' ' N ' ' A' ' 105' ' ' GLU . 29.6 mt-30 -154.64 96.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.745 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.1 t 46.64 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.904 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.4 tt0 -34.17 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.0 tt0 -61.71 -11.26 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.1 pt20 -35.08 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.193 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -93.12 -51.26 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.711 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.1 -15.11 62.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.916 ' O ' HG22 ' A' ' 46' ' ' VAL . 9.0 tp -55.31 -37.01 66.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.767 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.09 -4.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.2 OUTLIER 94.67 28.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.711 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 40.38 25.67 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.899 HG11 ' NE2' ' A' ' 44' ' ' HIS . 92.8 t -128.72 61.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . . . 162.21 94.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.2 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -156.04 140.41 16.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.83 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -96.46 -163.17 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.88 132.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.561 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -143.54 145.76 32.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.644 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.2 mtt -139.12 135.08 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.31 163.57 32.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -127.78 141.37 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.54 104.73 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.6 tt0 63.14 -26.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.77 -2.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.917 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.8 p -89.32 124.96 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.05 100.71 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.861 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.3 m -74.25 138.09 43.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -129.33 102.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -99.27 100.38 11.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 4' ' ' ILE . 6.5 mt -96.24 129.36 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.83 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -128.06 115.43 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.14 -119.64 1.02 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.954 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -122.35 158.17 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -125.4 84.84 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.696 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -136.19 167.64 20.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.469 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.4 p80 -42.88 -26.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.2 m80 -77.73 -53.05 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.86 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -78.91 -21.34 47.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.41 -17.84 61.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -70.06 -45.76 66.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -47.12 -47.13 23.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -67.84 -28.08 67.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.78 -40.96 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.638 ' O ' HG22 ' A' ' 34' ' ' THR . 1.7 pt20 -75.33 -33.28 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HB3' HD22 ' A' ' 29' ' ' LEU . 33.3 tptt -65.83 -13.1 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 66' ' ' ARG . 12.1 t -72.31 -56.55 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.83 -38.24 61.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 12.0 mt-30 -64.56 -47.46 78.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -26.55 56.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -51.22 -37.58 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 28.4 mt-10 -161.67 75.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 9.5 ttpt -69.1 -46.96 66.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 167.11 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -77.32 -139.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.1 83.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.52 -166.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.02 ' CD2' HD22 ' A' ' 112' ' ' LEU . 47.4 m-70 -130.8 160.54 34.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.217 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -102.83 157.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.917 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.23 87.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.24 154.06 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.464 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.84 109.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -100.26 123.62 44.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -23.39 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 56.9 t0 -122.2 63.33 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -84.64 99.64 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.0 t -103.19 -88.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 79.2 t80 -61.8 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 1.005 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.84 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.643 ' O ' ' HE2' ' A' ' 55' ' ' MET . 13.0 t0 -109.55 -144.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -95.98 6.09 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -62.98 -55.11 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.59 0.5 85.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.626 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -43.21 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.87 -35.99 26.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.618 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -64.43 -21.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -95.11 -37.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -67.29 -47.37 70.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -67.5 -14.06 64.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.83 ' HD3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.78 -38.82 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 3.8 t80 -45.87 -48.65 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -76.81 -36.66 56.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.753 ' CG ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.72 -22.04 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.691 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -97.08 -41.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.727 ' HB3' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -65.02 -34.0 77.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.596 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -60.24 -39.89 88.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.574 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -121.95 25.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -130.71 2.02 5.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.417 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . 70.48 -61.13 0.87 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.9 mm-40 -139.89 148.13 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.765 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.84 125.04 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.895 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -119.79 161.28 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.774 HG22 ' CE2' ' A' ' 101' ' ' PHE . 10.2 p -171.2 119.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.381 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 110' ' ' LEU . 21.6 p -123.77 -165.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.41 37.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.599 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.5 tp -59.72 171.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.448 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -152.39 153.22 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -10.57 21.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.68 34.12 4.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -149.01 -36.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.599 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.94 -12.17 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -71.82 -21.4 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD22 ' OG ' ' A' ' 57' ' ' SER . 11.5 mt -68.79 -45.34 71.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.629 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 21.8 m-85 -84.04 -19.3 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -73.54 -35.68 65.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 ttt -88.51 -29.62 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -67.13 -35.95 80.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.49 0.32 72.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.7 tp -99.71 10.91 40.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.08 -34.19 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -63.0 -21.47 66.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.734 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.92 -17.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.371 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 19.0 mm -111.33 -12.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.494 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 31.57 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.3 t80 -102.45 168.88 9.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -136.64 -148.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.9 ' O ' ' N ' ' A' ' 105' ' ' GLU . 25.8 mt-30 -145.73 85.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.756 ' O ' ' N ' ' A' ' 107' ' ' GLN . 34.0 t 48.69 -62.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.9 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.6 OUTLIER -33.76 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.576 ' NE2' HG22 ' A' ' 78' ' ' VAL . 5.7 tt0 -63.7 -8.76 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.2 pp0? -35.65 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.4 -48.78 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -63.35 -21.74 66.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 80' ' ' CYS . 22.0 mt -47.46 -45.55 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -58.19 -0.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.495 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.02 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 101.43 17.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 51.71 18.42 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.27 79.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 160.73 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.458 ' O ' ' O ' ' A' ' 2' ' ' LEU . 15.3 m . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.046 -0.354 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.845 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 21.6 tp 59.86 138.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.842 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -107.65 -142.96 10.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.67 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 169.05 139.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -152.62 141.0 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.686 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -137.36 139.18 40.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.663 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.51 157.09 44.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.7 147.63 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.747 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -156.3 106.85 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.608 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 64.88 -27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.69 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 158.52 -5.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -85.61 123.98 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.27 101.28 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.787 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.61 130.88 40.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.299 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -121.69 97.11 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.179 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -94.4 105.88 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -100.27 129.35 46.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.842 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.76 113.83 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.845 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 157.18 -118.46 0.84 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.47 161.55 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.84 82.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 1.018 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p30 -142.18 175.32 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' N ' ' CB ' ' A' ' 58' ' ' SER . 4.0 p80 -47.11 -26.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' HB2' ' OD1' ' A' ' 22' ' ' ASP . 9.1 m80 -72.67 -53.13 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.018 HG23 ' OD1' ' A' ' 22' ' ' ASP . 3.4 p -79.38 -29.27 42.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.8 -16.07 63.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -72.23 -51.15 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.61 -47.25 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 62' ' ' VAL . 0.3 OUTLIER -67.98 -29.23 68.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.75 -42.54 25.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 34' ' ' THR . 1.8 pt20 -78.21 -29.28 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HB3' HD22 ' A' ' 29' ' ' LEU . 10.1 tptt -67.87 -8.79 39.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.4 t -83.68 -51.81 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -54.8 -42.09 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -58.81 -43.22 90.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -77.71 -25.18 49.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.54 -34.14 24.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.404 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -162.63 73.73 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.1 ttpt -71.51 -47.22 56.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.1 m-20 165.33 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.6 t70 -78.56 -115.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.844 ' CD1' HG22 ' A' ' 73' ' ' ILE . 2.5 mm -148.69 82.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -78.54 -166.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.925 ' CG ' HD22 ' A' ' 112' ' ' LEU . 28.6 m170 -130.93 159.03 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.216 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.39 157.71 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.861 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.62 84.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -82.6 155.87 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.432 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.19 110.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -105.89 126.03 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.39 -22.71 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 27.5 t0 -105.1 67.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.2 tm? -92.09 124.32 36.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.5 t -135.22 -88.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -62.9 -62.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.989 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.8 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.748 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.4 t0 -109.05 -168.21 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 78.0 p -89.07 13.17 13.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.593 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -68.15 -47.64 67.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.95 -8.48 75.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.75 -42.99 58.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.03 -34.3 27.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.833 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.92 -23.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -93.07 -35.04 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -71.14 -40.37 71.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -23.34 68.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.904 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -86.5 -50.12 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.2 t80 -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -75.74 -29.86 59.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -75.9 -50.53 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.904 HG22 ' O ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -54.32 -43.01 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -75.19 -20.47 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -71.37 -20.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.844 HG22 ' CD1' ' A' ' 42' ' ' ILE . 4.0 mt -77.76 -41.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.45 34.6 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -127.17 -140.14 5.1 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.786 ' O ' HD12 ' A' ' 45' ' ' ILE . 10.9 mm-40 -142.15 146.62 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.713 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -117.84 122.3 43.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.903 HG12 HD23 ' A' ' 110' ' ' LEU . 22.0 t -128.61 148.2 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.689 HG22 ' CE2' ' A' ' 101' ' ' PHE . 5.1 p -147.12 134.6 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.884 ' SG ' HD11 ' A' ' 110' ' ' LEU . 8.0 p -124.05 -165.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.96 56.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.631 HG22 ' HA ' ' A' ' 103' ' ' GLN . 1.1 tp -83.83 176.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.76 156.13 11.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.03 9.46 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -135.24 24.26 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.989 HG22 ' SD ' ' A' ' 55' ' ' MET . 9.1 t -135.09 -38.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.602 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.53 -14.2 62.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.231 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.36 -26.24 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 89' ' ' LEU . 5.9 mt -64.58 -44.3 91.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 24.7 m-85 -87.65 -21.31 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.35 -34.88 68.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.4 ttm -83.83 -34.47 24.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -66.18 -35.05 79.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.62 8.35 86.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.501 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -106.72 10.01 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.1 -33.61 12.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -63.12 -22.44 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -81.41 -13.6 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.4 mm -115.07 -12.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 2.2 ttt85 31.57 83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.8 t80 -101.81 172.96 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.25 -142.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.883 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -153.41 91.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' ' 107' ' ' GLN . 14.3 t 48.38 -65.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.919 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.3 tt0 -34.22 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.637 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.2 tt0 -64.64 -8.93 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 110' ' ' LEU . 20.7 tt0 -38.11 -29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.87 -40.18 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.637 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -66.85 -29.13 68.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.903 HD23 HG12 ' A' ' 78' ' ' VAL . 99.3 mt -47.99 -43.19 29.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.006 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -56.96 -3.38 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.477 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 111' ' ' THR . 0.0 OUTLIER 102.9 20.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.637 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 69.7 1.23 29.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' H ' ' A' ' 115' ' ' ALA . 5.1 t -123.81 -138.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 111' ' ' THR . . . 34.01 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 114' ' ' VAL . 4.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.048 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.485 ' O ' ' C ' ' A' ' 2' ' ' LEU . 68.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.911 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -33.11 137.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.791 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.47 -151.65 21.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 171.48 141.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -154.21 143.97 21.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.0 mtm -135.4 143.38 45.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.368 1.042 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.946 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.82 169.97 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -136.78 142.97 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -149.57 104.07 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.7 tt0 63.17 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.41 -3.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.19 119.05 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.96 109.65 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -75.47 127.5 33.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.657 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.2 mp -113.46 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -89.5 109.83 20.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -113.46 134.48 54.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -124.72 114.85 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.745 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 159.88 -121.82 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HG2' ' CB ' ' A' ' 54' ' ' PHE . 1.6 mt-10 -123.7 159.79 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.742 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -118.83 94.39 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -139.86 172.85 12.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.692 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -57.53 -15.57 7.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.692 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 57.7 m-70 -97.31 -38.58 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.911 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -82.72 -31.11 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -70.32 -32.99 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -54.96 -51.7 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -44.27 -47.55 9.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.9 tp -68.05 -30.34 69.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -44.87 -44.09 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 1.043 ' O ' HG22 ' A' ' 34' ' ' THR . 1.5 pt20 -73.18 -32.29 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HE2' HD11 ' A' ' 15' ' ' ILE . 3.9 tptt -70.78 -17.36 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.6 t -86.82 -47.04 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 31' ' ' GLN . 9.1 t -43.91 -31.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.02 -46.49 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -25.09 41.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.743 HD13 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -54.43 -32.96 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -161.09 68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.688 ' HZ3' ' HG2' ' A' ' 43' ' ' ARG . 5.2 ptmt -73.28 -47.43 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.3 m-20 175.66 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -75.88 -116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.102 ' CD1' HG22 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -146.68 87.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.24 -167.15 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.977 ' CE1' HD22 ' A' ' 112' ' ' LEU . 41.5 m-70 -126.59 157.56 38.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.156 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.18 161.24 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.919 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.61 84.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 79' ' ' VAL . 4.4 mt -84.62 153.65 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.642 ' HB3' HD11 ' A' ' 110' ' ' LEU . 2.1 p30 -179.36 108.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.918 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.28 116.47 31.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 -20.78 26.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.8 t0 -103.55 66.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 55' ' ' MET . 3.3 tm? -86.88 109.03 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -112.34 -86.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 60.7 t80 -69.99 -78.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.956 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 46.85 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.807 ' HA ' HD11 ' A' ' 89' ' ' LEU . 10.1 t0 -117.32 -151.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -91.19 28.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.535 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.57 -38.41 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.09 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -103.27 -10.91 35.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.54 -55.07 14.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.29 -31.3 69.35 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -68.15 -21.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.574 HD12 HG12 ' A' ' 62' ' ' VAL . 1.3 mp -102.4 -37.89 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HA ' HD11 ' A' ' 99' ' ' ILE . 1.8 tt -72.22 -37.46 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.25 -12.11 65.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.938 ' CD ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.24 -41.79 8.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' ' CG ' ' A' ' 77' ' ' MET . 1.8 t80 -44.96 -42.66 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.56 -27.2 58.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.715 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -75.02 -45.07 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.248 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.979 ' HA ' HD12 ' A' ' 73' ' ' ILE . 7.2 tp -58.15 -37.55 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -74.31 -24.86 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.75 -21.3 44.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.102 HG22 ' CD1' ' A' ' 42' ' ' ILE . 6.4 mt -82.19 -36.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.03 23.59 2.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -133.57 -141.55 4.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -158.32 158.05 33.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 0.719 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.907 ' HB3' HG21 ' A' ' 70' ' ' ILE . 1.3 ppp? -120.32 133.68 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.905 ' N ' HD11 ' A' ' 45' ' ' ILE . 65.5 t -127.2 135.51 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.004 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 3.0 p -133.08 128.47 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 31.3 p -131.18 -170.45 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.918 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.18 30.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' CE1' ' A' ' 101' ' ' PHE . 5.3 tp -59.32 -147.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.792 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.63 165.53 0.89 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 18.3 Cg_endo -75.02 -8.13 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.76 29.98 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.821 ' CG2' HD11 ' A' ' 52' ' ' LEU . 1.7 t -142.07 -37.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.514 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.32 -13.75 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -69.35 -26.23 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -60.66 -46.84 88.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.8 m-85 -84.61 -22.68 29.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -74.09 -34.0 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 mtp -76.51 -42.08 44.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -49.6 65.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.92 -6.06 59.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.15 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.538 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.0 tp -87.04 9.19 20.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.48 -33.33 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -22.63 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.649 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.87 -9.63 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.715 HD11 ' HA ' ' A' ' 64' ' ' LEU . 46.3 mm -116.39 -14.05 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 30.47 87.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 1.004 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -103.94 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.604 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -151.24 -146.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.858 ' O ' ' N ' ' A' ' 105' ' ' GLU . 91.0 mt-30 -157.0 95.35 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.769 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.9 t 50.76 -63.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.858 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.9 tt0 -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.615 ' OE1' HG13 ' A' ' 78' ' ' VAL . 3.7 tt0 -66.59 -7.44 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -34.6 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.44 -51.41 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -64.19 -21.57 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.801 HD21 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.56 -42.19 64.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.016 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.12 -4.74 0.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.977 HD22 ' CE1' ' A' ' 44' ' ' HIS . 1.3 tt 97.93 26.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.1 17.02 50.82 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.924 ' CG2' HD23 ' A' ' 112' ' ' LEU . 2.3 t -112.23 -144.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 1.016 ' HB3' HG21 ' A' ' 111' ' ' THR . . . 34.5 36.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 114' ' ' VAL . 1.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.82 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -83.56 140.17 32.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.853 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -100.01 -157.25 28.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.74 130.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.476 ' C ' ' HG3' ' A' ' 6' ' ' MET . 0.4 OUTLIER -142.0 141.13 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.675 ' HG2' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -137.69 134.82 35.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.38 166.36 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.666 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -132.67 143.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.73 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.89 104.92 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 63.28 -28.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.35 -3.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.912 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -88.27 122.47 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.212 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.739 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.63 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.58 144.86 47.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.675 ' CD1' ' HG2' ' A' ' 6' ' ' MET . 9.0 mm -134.67 90.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -92.03 106.55 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.27 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD12 HD11 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -103.46 127.33 50.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.72 113.87 17.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.82 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.66 -116.66 0.74 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' C ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.7 161.19 24.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.734 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.63 91.9 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.54 170.68 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -74.29 -49.42 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.703 ' HA ' HD22 ' A' ' 2' ' ' LEU . 1.2 p -81.77 -30.51 32.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -62.4 -14.2 37.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.99 -47.81 67.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -42.79 -43.67 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.35 -30.5 60.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tptt -51.11 -47.14 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 34' ' ' THR . 11.8 pt20 -67.92 -33.36 74.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 29' ' ' LEU . 42.1 tptt -68.34 -14.46 63.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.6 t -63.99 -62.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.972 HG23 ' NE2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -49.33 -39.79 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.972 ' NE2' HG23 ' A' ' 34' ' ' THR . 12.9 mm-40 -62.58 -46.09 89.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.455 ' OG ' HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -75.99 -25.57 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 mt -47.91 -41.32 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.28 78.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.23 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.19 -47.23 62.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 8.1 m-20 176.5 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 39.4 t0 -79.16 -107.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.969 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.9 mm -151.63 87.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HE ' HD23 ' A' ' 13' ' ' LEU . 1.8 mtm-85 -81.14 -166.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.794 ' CG ' HD22 ' A' ' 112' ' ' LEU . 52.7 m-70 -130.99 159.83 36.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.6 159.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.912 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -157.91 82.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.7 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.2 mp -82.58 154.08 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' HB2' HD11 ' A' ' 110' ' ' LEU . 3.4 t30 -177.7 107.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.794 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.06 121.82 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -22.62 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.4 t0 -104.03 65.93 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.867 HD11 ' HE2' ' A' ' 55' ' ' MET . 1.0 OUTLIER -93.62 126.75 38.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.679 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.4 t -137.31 -88.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.707 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -60.27 -65.66 0.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.944 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.958 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 40.04 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.707 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -104.24 -159.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 6.0 p -97.01 22.51 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.592 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 1.3 m -77.82 -59.06 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -18.51 79.64 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.587 1.179 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.52 -44.04 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.47 -32.62 30.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.497 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.78 -21.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.231 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 99' ' ' ILE . 1.5 mt -94.94 -35.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -71.17 -45.8 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.736 ' HA3' HH21 ' A' ' 66' ' ' ARG . . . -64.2 -14.98 58.04 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.756 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -100.04 -44.69 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.704 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -42.01 -35.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.796 ' CD ' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -77.09 -37.72 53.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -70.03 -49.97 45.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CG2' ' CG ' ' A' ' 77' ' ' MET . 7.3 tp -54.93 -32.44 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' CG ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -76.65 -36.61 57.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.697 ' HG2' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -61.55 -12.7 16.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.969 ' O ' HD11 ' A' ' 42' ' ' ILE . 3.1 mm -78.87 -36.32 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.04 39.74 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -132.68 -141.33 4.61 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.666 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -149.99 150.97 32.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.671 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.75 126.33 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 112' ' ' LEU . 59.2 t -131.38 130.91 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.6 p -138.0 134.63 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -125.83 -167.18 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.69 48.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.757 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.7 tp -73.36 170.43 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.48 156.72 30.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -0.78 10.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.74 29.29 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.3 t -142.22 -38.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.757 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.61 -10.94 60.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -70.96 -15.69 62.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.2 mt -74.33 -45.27 48.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.839 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.3 m-85 -85.06 -20.39 30.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.09 -34.66 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 mtp -89.78 -27.82 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -66.72 -26.87 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.39 15.7 59.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.2 11.57 10.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -44.64 -27.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -63.11 -23.41 67.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -85.34 -5.94 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.668 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 36.7 mm -114.63 -15.77 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.62 81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.777 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.4 t80 -105.68 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -137.81 -147.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 13.1 mt-30 -150.34 90.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 32.5 t 47.34 -65.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -33.18 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.63 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.1 tt0 -61.61 -10.68 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.5 pt20 -34.18 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.11 -51.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.558 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -62.14 -20.62 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -48.89 -44.13 39.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.628 1.205 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -54.83 -5.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.884 ' HA ' HG21 ' A' ' 78' ' ' VAL . 2.2 tt 96.29 28.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.558 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 40.72 27.05 0.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 114' ' ' VAL . 6.7 t -136.88 70.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 158.95 98.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.9 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 2' ' ' LEU . 41.0 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.822 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 tp -34.21 135.74 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.817 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -110.59 -152.57 13.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 176.19 135.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -145.51 141.59 28.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 88.6 mtp -135.09 137.94 43.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -143.71 151.98 40.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.55 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -122.68 136.01 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.795 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -141.42 106.06 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.0 tt0 64.02 -27.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.27 -5.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.886 ' CG2' HG23 ' A' ' 46' ' ' VAL . 11.3 p -86.12 122.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.49 101.52 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.36 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.756 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -76.08 129.55 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.5 mp -120.79 97.25 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 1.4 ttt180 -92.38 100.0 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 4' ' ' ILE . 1.2 mm? -92.87 129.42 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.817 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -127.75 113.78 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.5 -118.56 0.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -124.34 163.89 20.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.885 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -125.47 86.05 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -132.35 171.28 13.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.685 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.6 p80 -53.85 -16.94 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.685 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 56.4 m-70 -96.1 -40.85 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.822 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -83.69 -18.25 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.0 -34.97 64.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -45.04 -50.03 11.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.02 -44.11 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.081 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.04 -29.77 60.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -50.53 -46.44 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.233 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.545 ' O ' ' CG2' ' A' ' 34' ' ' THR . 13.2 pt20 -71.5 -35.04 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HB3' HD13 ' A' ' 29' ' ' LEU . 11.5 tptt -72.24 -11.75 60.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.081 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.0 t -86.16 -52.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -47.47 -37.25 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.1 pp0? -56.73 -36.91 70.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -78.43 -30.14 47.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -45.18 -36.84 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 24.0 mt-10 -162.74 75.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.19 -49.37 44.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.7 m-20 161.44 -90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 23.5 t70 -77.06 -114.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.074 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.8 mm -150.11 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' SER . 2.0 mpt_? -80.56 -165.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.895 ' CE1' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -134.43 159.0 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.27 160.0 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.886 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.68 81.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.387 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.733 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -80.68 153.13 28.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 81' ' ' ALA . 3.4 t30 -179.91 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.904 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.72 120.06 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -22.3 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 17.1 t70 -117.72 64.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.881 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.32 114.67 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.1 t -125.75 -93.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.925 ' O ' ' HE3' ' A' ' 55' ' ' MET . 58.0 t80 -47.74 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 1.019 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.59 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.944 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -116.27 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 15.3 p -91.09 28.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.466 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.9 m -98.6 -23.39 15.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -128.15 -2.05 6.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -51.33 -48.72 62.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.16 -42.21 81.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.536 HG12 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -56.65 -21.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.793 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.728 HG23 HH22 ' A' ' 66' ' ' ARG . 6.1 mm -78.44 -35.53 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.856 HD21 HD23 ' A' ' 95' ' ' LEU . 1.1 tp -76.48 -15.83 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.44 -26.72 56.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.728 HH22 HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -80.86 -32.84 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.217 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 4.6 t80 -62.83 -46.89 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 2.4 mmmt -81.39 0.88 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.834 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -92.97 -34.9 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 45' ' ' ILE . 7.4 tp -93.92 -27.07 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -78.07 -30.19 49.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 73' ' ' ILE . 2.6 tt0 -69.24 -27.55 65.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.074 ' O ' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -77.96 -28.84 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 18.11 6.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -105.98 -134.11 7.71 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.727 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -154.21 153.26 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.7 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 6.7 tpt -113.34 128.74 56.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.923 HG11 ' HA ' ' A' ' 110' ' ' LEU . 44.4 t -128.09 149.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 2.2 t -151.86 139.6 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.2 p -146.63 -168.87 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.904 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 81.07 23.61 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.702 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 2.5 tp -70.03 -167.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.647 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -163.03 174.06 3.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.2 Cg_endo -75.0 -10.74 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -127.5 22.26 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.019 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.5 t -136.03 -35.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 17.9 ttpt -71.87 -14.61 62.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.39 -26.28 67.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' SD ' ' A' ' 55' ' ' MET . 3.8 mt -59.58 -45.96 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.692 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 32.8 m-85 -87.23 -27.09 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.97 -33.7 74.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.085 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.1 ttm -82.56 -35.54 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -54.79 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.01 65.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.856 HD23 HD21 ' A' ' 64' ' ' LEU . 6.9 tp -84.59 12.48 6.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 0.756 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CE1' ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -56.37 -22.55 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -63.47 -26.65 68.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.798 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -99.26 11.72 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.658 HD11 HD12 ' A' ' 64' ' ' LEU . 7.4 mm -124.93 -18.71 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.491 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER 31.24 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.702 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -111.26 171.64 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.69 -147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.892 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.6 mt-30 -149.08 88.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.826 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.2 t 48.2 -62.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.892 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.1 tt0 -33.82 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 108' ' ' ALA . 9.3 tt0 -68.42 -5.66 20.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 104' ' ' SER . 28.7 tt0 -32.61 -31.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.94 -51.63 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.658 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.13 -18.7 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.923 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -56.45 -37.5 70.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.881 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.2 -5.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.895 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.6 tt 98.16 26.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.658 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 42.42 26.63 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.738 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 38.3 t -142.39 68.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.881 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 159.25 95.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -162.52 141.98 9.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.823 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -86.0 -157.83 29.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.728 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.95 133.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -149.15 141.63 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.693 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -136.46 138.62 41.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.743 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -143.44 142.2 31.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -111.4 136.61 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.702 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -139.87 104.09 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.588 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.5 tt0 64.03 -29.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 163.95 -3.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.4 p -88.25 119.37 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.6 97.73 10.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.743 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -69.86 139.6 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.35 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -129.02 102.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -102.22 99.64 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 2' ' ' LEU . 6.2 mt -100.04 131.21 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.823 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -128.05 115.46 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.383 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.713 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.65 -119.59 0.92 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.73 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -123.04 157.91 31.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -160.57 170.87 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -44.03 -26.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.534 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ASP . 9.5 m80 -75.11 -55.36 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.61 -29.01 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -69.11 -14.77 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -76.2 -49.99 15.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.2 m -48.63 -44.48 37.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 110.491 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.057 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.5 tm? -71.45 -25.66 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.94 -44.1 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' THR . 2.9 pt20 -76.11 -33.85 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 29' ' ' LEU . 2.6 tptt -69.98 -8.15 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 29' ' ' LEU . 81.0 t -85.62 -51.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.626 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.49 -40.08 65.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 2.8 pp0? -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.432 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.69 -24.27 45.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.955 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -50.49 -36.08 32.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.388 1.055 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 40.1 mt-10 -161.66 73.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.79 -45.55 61.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.6 m-20 177.25 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.75 -143.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -109.99 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.595 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.49 -166.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.785 ' ND1' HD13 ' A' ' 112' ' ' LEU . 26.6 m-70 -133.17 156.82 46.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 0.0 109.67 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.157 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.24 155.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.894 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.94 85.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -82.69 152.74 25.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' CG ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -175.12 107.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -105.67 123.02 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -21.96 17.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 44.1 t0 -120.86 66.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.829 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.42 104.66 16.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.9 t -124.3 -87.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -46.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.878 ' SD ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER 35.43 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.806 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 2.6 t70 -94.08 -154.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 p -92.76 17.91 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.572 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -81.63 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -72.96 -16.98 78.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.77 -44.12 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.44 -32.45 34.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -66.29 -24.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -89.28 -35.62 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.905 HD21 HD23 ' A' ' 95' ' ' LEU . 2.4 tp -67.27 -43.2 82.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -56.46 -21.16 33.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.905 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -90.66 -47.36 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 0.795 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HD12 ' A' ' 98' ' ' ILE . 3.1 t80 -40.92 -26.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' A' ' 98' ' ' ILE . 6.7 mmmt -108.96 -25.45 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.571 ' HG2' HD11 ' A' ' 37' ' ' LEU . 3.0 tp-100 -96.58 -13.5 22.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.905 HG22 ' O ' ' A' ' 66' ' ' ARG . 8.6 tp -98.46 -30.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HG2' ' HA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -76.84 -23.55 52.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.59 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.5 OUTLIER -75.65 -31.91 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 110.223 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -133.47 32.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.585 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -146.56 14.7 1.6 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 65.41 -63.0 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.852 ' O ' HD12 ' A' ' 45' ' ' ILE . 2.3 mm-40 -151.99 151.43 31.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 0.712 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.897 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.58 120.34 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.053 HG11 ' HA ' ' A' ' 110' ' ' LEU . 57.7 t -128.3 149.06 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.103 HG21 ' CE2' ' A' ' 101' ' ' PHE . 2.2 p -145.36 138.33 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 27.6 p -128.3 -174.15 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 67.6 80.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.789 HD13 ' CD1' ' A' ' 101' ' ' PHE . 5.9 tp -112.66 169.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 162.86 25.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -0.98 10.62 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.25 33.89 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.829 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.45 -36.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -78.74 -4.68 50.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.596 ' NE ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -79.06 -17.57 55.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.878 HD13 ' SD ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -69.7 -45.58 67.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CE2' HD21 ' A' ' 60' ' ' LEU . 26.6 m-85 -82.81 -22.67 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -66.4 -34.89 78.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.2 ttp -82.63 -31.94 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -67.53 -56.36 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.68 54.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.905 HD23 HD21 ' A' ' 64' ' ' LEU . 7.5 tp -88.91 12.84 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 0.733 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -54.39 -24.24 18.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -26.73 68.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.872 HD13 ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -99.48 12.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 100' ' ' ARG . 9.2 mm -125.15 -23.95 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.593 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 21.86 83.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 1.103 ' CE2' HG21 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.08 -177.34 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.616 ' O ' ' CD ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER 72.39 134.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.616 ' CD ' ' O ' ' A' ' 102' ' ' GLU . 13.6 mm-40 -161.23 -52.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t 50.16 -85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 103' ' ' GLN . 12.8 tt0 -74.47 -25.42 59.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' ALA . 8.2 tt0 -74.08 -6.24 46.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLN . 11.0 pt20 -35.44 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.25 -57.5 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -59.15 -15.35 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 1.19 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.053 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -63.6 -26.43 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.822 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -56.79 -5.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.426 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.03 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.2 tt 98.98 26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.554 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 45.57 29.76 2.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.775 HG11 ' NE2' ' A' ' 44' ' ' HIS . 20.9 t -126.88 67.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 169.49 93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.653 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 2.9 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.01 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER 151.57 141.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.891 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -118.16 -173.42 16.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -177.29 131.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -142.58 141.56 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.697 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.3 mtt -133.75 134.21 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.43 161.93 35.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -128.58 135.83 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -138.28 105.47 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.4 tt0 63.19 -28.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 163.36 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.942 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -88.0 126.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.3 100.66 12.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.893 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.82 139.82 47.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.921 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.5 mp -130.58 97.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -95.77 102.51 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.209 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -100.77 130.41 46.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.891 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -130.12 112.56 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.779 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 152.59 -114.0 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.32 159.14 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.28 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -122.09 82.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.646 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -136.27 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.761 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -51.49 -18.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.65 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.761 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.7 m-70 -87.06 -46.17 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.01 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.7 p -79.56 -34.45 40.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -58.52 -26.57 63.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.81 -52.75 38.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -45.5 -42.83 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.41 -30.11 64.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.94 -46.64 68.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 34' ' ' THR . 16.6 pt20 -73.21 -34.24 65.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.261 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.921 ' HE2' HD11 ' A' ' 15' ' ' ILE . 23.1 tptt -67.99 -9.56 46.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.9 t -83.63 -51.0 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -55.2 -41.94 72.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -59.64 -43.67 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.08 -23.13 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.45 -32.27 26.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -160.61 74.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.772 ' HZ2' HG12 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -71.8 -41.31 68.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 2.6 m-20 156.24 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 16.6 t70 -83.72 -107.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.562 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 1.1 mm -147.01 125.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -116.3 -167.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.731 ' N ' ' O ' ' A' ' 11' ' ' SER . 32.4 m-70 -133.83 159.76 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.194 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -99.3 155.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.942 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.66 84.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' H ' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.79 153.5 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 1.7 p30 -179.4 102.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -103.21 126.15 50.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.76 -22.71 15.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.244 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 62.8 t0 -122.4 66.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -95.78 111.22 23.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.464 ' O ' ' HE2' ' A' ' 55' ' ' MET . 15.4 t -125.2 -93.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.868 ' O ' ' HE3' ' A' ' 55' ' ' MET . 48.4 t80 -41.4 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.991 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 34.3 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.5 t70 -109.92 -152.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 22.9 p -95.17 29.55 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.573 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -92.1 -50.5 5.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.402 1.064 . . . . 0.0 109.984 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.65 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -98.46 -9.44 53.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -50.64 -44.27 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.22 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.05 -35.05 45.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -62.29 -23.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -89.09 -34.58 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.883 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -67.21 -45.25 77.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.04 -21.69 39.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.982 ' CD ' HG22 ' A' ' 33' ' ' VAL . 1.6 ttp85 -88.91 -50.2 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 0.781 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.739 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -39.33 -32.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HE2' HD11 ' A' ' 98' ' ' ILE . 1.6 mmtt -87.31 -40.43 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.79 ' O ' HG22 ' A' ' 73' ' ' ILE . 23.6 tp60 -85.08 -17.11 38.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.865 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.1 tp -97.38 -9.59 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' CG ' ' CG ' ' A' ' 77' ' ' MET . 9.7 mtpt -80.78 -54.86 5.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.58 -16.68 50.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -109.98 -51.91 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -74.98 -1.25 62.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 62.42 -57.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 45' ' ' ILE . 16.6 mm-40 -125.65 151.41 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -106.16 126.48 52.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.912 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -126.8 157.57 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.665 HG13 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -174.23 119.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.947 ' SG ' HD11 ' A' ' 110' ' ' LEU . 30.0 p -119.95 -166.69 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 69.91 51.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 87' ' ' LYS . 5.4 tp -79.68 169.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.91 154.06 25.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.98 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.31 27.27 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.991 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.0 t -141.29 -35.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 82' ' ' ILE . 4.4 pttt -70.99 -12.79 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.38 -24.07 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.65 HD12 ' SD ' ' A' ' 55' ' ' MET . 1.2 mt -65.76 -45.42 82.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.76 ' CE1' HD21 ' A' ' 60' ' ' LEU . 46.2 m-85 -85.4 -19.79 30.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -75.21 -34.52 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -36.49 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -66.04 -25.38 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.79 5.86 40.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.595 1.184 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.6 tp -103.83 10.85 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -46.66 -33.15 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.28 -22.49 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.883 ' CG2' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.99 -7.83 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.863 HD11 HD12 ' A' ' 64' ' ' LEU . 31.1 mm -114.91 -16.77 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.35 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.665 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -103.42 168.88 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.588 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -134.81 -145.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.933 ' O ' ' N ' ' A' ' 105' ' ' GLU . 78.8 mt-30 -148.2 86.61 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.8 t 46.6 -63.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -33.59 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.588 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -61.57 -11.93 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.4 pt20 -33.43 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.88 -53.23 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -59.45 -23.29 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.947 HD11 ' SG ' ' A' ' 80' ' ' CYS . 18.4 mt -44.23 -44.7 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.972 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.45 -10.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.408 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.11 23.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.855 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.17 52.76 6.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.046 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 112' ' ' LEU . 0.9 OUTLIER 173.85 88.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.752 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.19 94.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.69 HD11 HD23 ' A' ' 17' ' ' LEU . 2.5 tp -145.82 139.17 26.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -98.91 -163.47 29.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.49 138.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -150.95 142.01 23.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 41.0 mtp -129.54 134.87 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -141.06 141.63 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -112.63 138.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.722 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -142.76 104.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.599 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.47 -25.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.52 -5.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.037 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.855 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -85.34 123.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 98.21 10.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -73.71 129.8 38.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -119.01 95.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -101.25 106.19 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.98 136.61 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -122.01 118.81 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 164.86 -127.12 1.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -121.08 155.29 34.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 0.724 . . . . 0.0 110.239 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 HD13 ' A' ' 49' ' ' LEU . 13.1 mt -111.96 90.32 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -144.1 166.9 23.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.472 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.8 p80 -43.02 -28.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -74.11 -52.92 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.66 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.616 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.75 -29.19 40.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.11 -19.0 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -71.1 -46.83 61.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 79.6 m -49.4 -54.41 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.917 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -65.0 -15.96 62.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 4.8 pt20 -68.34 -40.82 81.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.917 ' CG ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.8 -11.92 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 29' ' ' LEU . 17.2 t -72.39 -57.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.35 -39.64 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 32' ' ' LYS . 17.2 mt-30 -63.84 -46.12 86.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.76 ' HB2' HH21 ' A' ' 66' ' ' ARG . 0.2 OUTLIER -75.78 -24.11 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.76 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -53.17 -33.27 51.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -163.81 73.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.226 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -73.16 -47.71 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.3 m-20 172.49 -94.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -81.81 -143.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.686 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -114.87 92.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.9 mpt_? -86.11 -166.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 34.3 m-70 -130.66 158.11 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.202 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.22 156.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.219 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.855 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -160.42 84.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.745 ' O ' HD11 ' A' ' 110' ' ' LEU . 18.6 mt -85.89 154.84 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -175.7 110.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.48 121.81 39.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -22.56 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 21.8 t70 -123.76 66.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.935 HD22 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -91.2 109.04 20.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 t -128.5 -88.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.07 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.864 ' O ' ' HE3' ' A' ' 55' ' ' MET . 68.7 t80 -46.64 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.965 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.82 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.185 . . . . 0.0 111.007 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.622 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.3 t70 -103.79 -148.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -95.08 24.05 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.472 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -88.25 -59.02 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.65 -16.8 69.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.09 -44.29 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.41 -33.01 32.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -66.15 -24.05 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.94 -35.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -59.78 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -60.41 -36.0 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.841 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -69.2 -40.37 78.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 0.788 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.4 t80 -48.37 -40.99 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.059 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -87.26 -28.0 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.611 ' HG2' HD11 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -90.23 -8.27 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.841 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 tp -99.39 -40.98 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -68.99 -24.98 64.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.583 ' HG2' HD11 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.62 -35.08 70.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 ' HG2' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -134.02 36.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.645 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -145.36 8.93 1.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 65.56 -62.04 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.917 ' O ' HD12 ' A' ' 45' ' ' ILE . 4.7 mm-40 -143.95 147.1 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.747 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.58 124.95 53.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.886 ' N ' HD11 ' A' ' 45' ' ' ILE . 16.9 t -133.31 154.66 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.5 p -154.31 131.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.893 ' SG ' HD22 ' A' ' 110' ' ' LEU . 19.2 p -133.35 -171.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.39 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.94 44.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 4.2 tp -80.66 -145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 176.18 162.7 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.6 20.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.13 19.49 6.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.965 HG22 ' CE ' ' A' ' 55' ' ' MET . 2.8 t -130.44 -36.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.525 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.27 -11.78 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.33 -27.28 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' C ' ' A' ' 56' ' ' ASP . 1.4 mt -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 25.1 m-85 -86.52 -23.85 25.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.51 -34.44 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 56.5 mtp -85.24 -32.9 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -29.54 68.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.04 15.34 74.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.539 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 tp -115.85 10.56 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.65 -35.83 14.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -60.69 -23.22 64.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.772 ' CG2' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.59 -8.79 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 64' ' ' LEU . 25.6 mm -118.98 -14.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.537 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER 33.22 89.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.597 1.186 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.83 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -106.75 176.53 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.629 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -147.5 -147.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 95.7 mt-30 -153.28 93.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.792 ' O ' ' N ' ' A' ' 107' ' ' GLN . 16.9 t 49.16 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.962 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -34.6 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.629 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 7.3 tt0 -66.39 -10.43 43.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -34.56 -30.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.5 -53.96 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.6 OUTLIER -63.09 -19.16 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.893 HD22 ' SG ' ' A' ' 80' ' ' CYS . 65.0 tp -59.04 -38.81 80.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.985 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.8 -7.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.994 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.52 23.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.072 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.938 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.23 49.28 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.994 ' O ' HD11 ' A' ' 112' ' ' LEU . 1.1 t 177.71 85.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 152.18 96.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 -179.933 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.897 HD12 ' HB ' ' A' ' 25' ' ' THR . 7.7 tt 74.77 137.06 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.856 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -123.93 -151.62 8.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 174.98 142.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -151.12 142.4 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.717 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -135.24 133.39 38.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.698 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.49 149.97 47.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.552 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -116.49 137.55 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.716 ' C ' ' H ' ' A' ' 11' ' ' SER . 2.3 mtmt -143.11 105.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.1 tt0 63.29 -28.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 160.42 1.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 46' ' ' VAL . 8.7 p -96.0 120.21 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.14 101.35 13.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.717 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -72.86 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.4 mp -114.89 94.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -92.61 97.55 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.7 133.53 35.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.33 113.8 16.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 160.53 -121.94 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.402 1.064 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.75 163.67 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 0.723 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.761 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -117.84 81.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 1.035 ' OD1' HG23 ' A' ' 25' ' ' THR . 14.6 p30 -142.13 172.45 12.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.801 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -48.89 -25.08 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.609 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.801 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.0 m-70 -77.7 -48.4 16.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.035 HG23 ' OD1' ' A' ' 22' ' ' ASP . 12.1 p -77.59 -36.62 51.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -57.2 -21.54 34.24 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -54.66 -50.22 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -44.59 -45.05 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 63' ' ' ILE . 4.2 tp -72.4 -28.51 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.29 -44.71 61.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 34' ' ' THR . 6.0 pt20 -74.57 -36.54 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.7 tptt -52.78 -19.43 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 58.5 t -59.48 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -55.66 -40.63 72.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.871 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.51 -26.03 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -48.53 -36.27 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 46.5 mm-40 -160.28 78.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -67.59 -51.49 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 153.43 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.6 -144.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -130.09 77.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.714 ' CB ' ' O ' ' A' ' 11' ' ' SER . 9.6 mtm-85 -81.17 -162.86 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.048 ' CD2' HD22 ' A' ' 112' ' ' LEU . 66.0 m-70 -127.97 161.77 28.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.25 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.07 155.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.4 t -160.33 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -81.93 153.59 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.41 107.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.925 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.84 121.17 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -21.88 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.755 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -104.24 68.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.1 tm? -94.93 124.77 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.62 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.0 t -135.02 -89.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 57.3 t80 -58.24 -67.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.86 93.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.653 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.0 t70 -120.41 -153.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 13.2 p -99.73 33.2 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -90.83 -48.84 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.937 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.44 -3.66 59.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.02 -44.03 51.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.36 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.79 -32.63 40.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.776 HG22 ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -64.5 -24.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.4 0.706 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.8 -35.01 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.227 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -64.64 -45.89 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -70.1 -23.63 77.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.776 ' NH1' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.74 -28.25 23.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 4.0 t80 -56.38 -49.75 73.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 5.8 mmmm -74.04 -35.1 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.39 -26.04 62.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.222 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.792 HD12 ' OG ' ' A' ' 36' ' ' SER . 7.9 tp -95.21 -30.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.691 ' HB3' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -76.71 -37.48 56.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.549 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -56.02 -37.84 69.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.871 HD13 ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -118.82 19.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -126.96 5.58 7.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.28 -57.98 0.17 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 45' ' ' ILE . 8.0 mm-40 -138.45 147.43 43.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.766 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.38 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 111.041 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.841 ' H ' HD11 ' A' ' 45' ' ' ILE . 13.8 t -130.28 156.4 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.7 t -149.12 136.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 110' ' ' LEU . 30.0 p -137.51 -171.58 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.263 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.46 32.6 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -70.49 -158.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.552 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -174.36 163.39 2.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' CZ ' ' A' ' 88' ' ' ARG . . . -137.37 26.8 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 6.5 t -136.17 -37.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.5 OUTLIER -71.23 -10.9 60.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.27 -23.33 64.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.6 mt -67.69 -46.29 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 60' ' ' LEU . 14.3 m-85 -86.46 -18.48 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.41 -34.24 70.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.395 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 27.6 ttp -86.6 -34.29 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.9 t -66.54 -44.65 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.76 -11.68 65.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.596 1.185 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -85.04 9.31 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.586 0.815 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.708 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.93 -33.57 7.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.95 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.45 -23.09 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.744 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.62 -9.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.719 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 17.4 mm -118.7 -13.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 32.41 90.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -117.29 166.57 12.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.656 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -144.27 -146.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.863 ' O ' ' N ' ' A' ' 105' ' ' GLU . 67.0 mt-30 -144.49 90.52 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.0 t 50.44 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 110.054 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.863 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -34.82 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.656 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 4.2 tt0 -67.69 -9.38 43.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.2 pt20 -36.03 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.02 -51.82 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.657 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -63.2 -24.14 67.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 47' ' ' LEU . 36.4 tp -54.02 -42.92 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.989 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -61.29 0.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.048 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.17 18.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.657 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 49.1 20.19 1.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.49 77.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 0.766 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.989 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 162.22 95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.906 HD11 HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -56.19 139.36 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.72 -156.03 30.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.64 136.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -144.77 155.06 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.9 mtm -147.44 139.45 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -146.88 155.2 42.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -119.12 150.47 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -158.65 105.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.669 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 64.86 -28.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 158.07 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.2 p -89.33 120.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.01 98.77 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.937 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -71.0 144.34 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -136.0 103.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -99.28 95.93 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.906 HD23 HD11 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -92.53 132.18 37.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.54 115.99 18.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.44 -120.48 1.03 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.647 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -122.19 160.62 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -119.59 82.51 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.696 ' CG ' ' CE2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.92 166.51 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.776 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -44.22 -23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.776 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.8 m-70 -79.33 -51.58 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.775 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.9 p -80.68 -28.55 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -67.53 -28.26 67.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.66 -49.66 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -46.13 -43.18 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.06 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.1 -44.76 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 34' ' ' THR . 3.9 pt20 -74.6 -34.67 62.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.45 -8.39 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 29' ' ' LEU . 82.2 t -83.96 -50.55 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -56.26 -41.23 75.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.7 pp0? -59.56 -42.56 92.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -77.62 -24.38 49.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.824 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.07 -33.58 26.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -163.4 72.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.9 -46.05 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 163.39 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.09 -135.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.883 ' CD1' HG22 ' A' ' 73' ' ' ILE . 1.1 mm -136.23 83.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.659 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.7 mtm-85 -81.5 -165.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.723 ' CE1' HD23 ' A' ' 112' ' ' LEU . 54.2 m-70 -128.13 161.73 28.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.55 156.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -157.2 82.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.2 mm? -87.11 151.54 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.781 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 179.95 107.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -99.31 119.91 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -21.57 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 23.8 t70 -119.43 66.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -94.83 105.42 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 t -123.19 -88.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.878 ' O ' ' HE3' ' A' ' 55' ' ' MET . 69.5 t80 -46.52 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.878 ' HE3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 37.8 84.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.605 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.3 t0 -97.88 -150.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.4 p -87.8 13.28 10.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -81.74 -59.4 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -84.37 -17.3 64.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD11 ' HA3' ' A' ' 94' ' ' GLY . 0.3 OUTLIER -49.73 -45.04 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.64 -32.37 37.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -63.75 -24.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 HG12 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -87.56 -34.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.925 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -68.84 -38.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.18 -20.45 58.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.868 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.8 -44.19 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.28 -46.69 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -76.94 -7.89 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.824 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -93.8 -51.17 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.901 HG23 ' HG2' ' A' ' 77' ' ' MET . 0.2 OUTLIER -60.62 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.455 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 3.7 mtpt -75.69 -20.83 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 1.3 tt0 -76.09 -21.13 57.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.883 HG22 ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -80.53 -46.26 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.65 31.17 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -139.12 5.47 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 45' ' ' ILE . 8.4 mm-40 -138.48 146.97 42.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.901 ' HG2' HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.84 125.59 50.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG11 ' CA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -123.06 158.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.04 HG22 ' CE2' ' A' ' 101' ' ' PHE . 13.3 p -174.82 117.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 110' ' ' LEU . 10.8 p -136.81 -171.11 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.58 89.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 -156.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.574 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -152.32 167.1 13.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.563 1.823 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.06 22.46 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.797 HG13 ' SD ' ' A' ' 55' ' ' MET . 2.4 t -139.94 -34.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -78.84 -9.83 59.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.37 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.885 HD23 ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -63.32 -38.74 92.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.616 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 58.5 m-85 -78.34 -31.93 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -32.66 73.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 tpt -130.24 -58.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.885 ' CB ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.9 -12.18 16.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . -136.64 -176.36 14.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.002 ' O ' ' N ' ' A' ' 98' ' ' ILE . 11.9 tp -102.94 35.68 2.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 0.779 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.648 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -11.08 -46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.876 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.73 -25.95 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.002 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.17 -2.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.665 ' CG2' HG11 ' A' ' 79' ' ' VAL . 14.6 mm -114.95 -15.29 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 96' ' ' PHE . 4.4 mmt85 32.16 77.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 1.04 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.6 t80 -100.04 166.55 10.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.072 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.578 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -144.16 -148.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.831 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.9 mt-30 -149.7 96.22 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.7 t 53.59 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.831 ' N ' ' O ' ' A' ' 103' ' ' GLN . 7.0 tt0 -38.67 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -76.34 -21.83 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.9 pt20 -31.26 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.32 -63.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.652 HD23 ' HA2' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -61.8 -13.87 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -61.43 -37.3 83.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.011 HG22 ' HB3' ' A' ' 115' ' ' ALA . 94.8 m -58.39 -3.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.078 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 103.52 18.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.652 ' HA2' HD23 ' A' ' 109' ' ' LEU . . . 106.43 61.16 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.4 OUTLIER 55.35 109.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 1.011 ' HB3' HG22 ' A' ' 111' ' ' THR . . . -151.74 76.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.857 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.9 tp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.797 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -102.81 -160.19 25.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.09 133.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.406 0.709 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -144.23 144.24 31.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.694 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.2 mtp -138.81 135.33 34.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.655 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t-20 -143.11 145.29 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -115.36 133.91 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.778 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -137.86 105.9 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 64.5 -26.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.699 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 159.74 -6.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.951 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.869 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.1 p -85.7 120.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.659 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.97 98.32 10.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -73.78 133.61 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.43 97.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -93.08 101.12 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 4' ' ' ILE . 6.3 mt -98.18 133.3 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.797 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -133.5 114.06 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.857 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.95 -118.44 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.1 mt-10 -120.77 158.73 26.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -121.59 83.16 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.593 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.02 168.66 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.738 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -45.75 -22.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.738 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.3 m-70 -80.14 -49.82 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.75 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.5 p -80.72 -31.75 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -65.36 -16.03 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -66.27 -48.4 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.82 -45.75 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -69.87 -27.5 64.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.47 -43.87 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.49 -35.76 75.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 29' ' ' LEU . 11.6 tttp -61.55 -15.5 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 ' NH1' ' A' ' 66' ' ' ARG . 39.4 t -64.57 -57.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.93 -39.17 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.415 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 12.8 mt-30 -63.51 -45.56 90.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.2 -27.02 53.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 mt -52.46 -40.63 62.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.8 mp0 -168.13 79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -65.74 -48.55 71.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.5 m-20 176.43 -96.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 25.0 t70 -77.49 -109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.4 mm -149.15 83.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.73 -163.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.848 ' ND1' HD22 ' A' ' 112' ' ' LEU . 40.4 m-70 -134.27 157.21 46.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.747 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.62 160.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.869 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.75 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.854 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -81.96 151.35 27.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.66 108.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -98.9 123.22 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.85 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -119.06 64.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -90.83 109.09 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.3 t -125.76 -89.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.894 ' O ' ' HE3' ' A' ' 55' ' ' MET . 66.3 t80 -47.18 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.932 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.49 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.9 t70 -100.7 -147.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -96.11 24.01 6.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -89.66 -55.61 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.06 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.85 -15.06 66.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.82 -43.56 48.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 0.807 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.86 -33.37 30.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.823 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.51 -28.44 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.21 -34.64 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.99 -33.66 76.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.467 ' C ' ' NH2' ' A' ' 66' ' ' ARG . . . -61.3 -30.34 73.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 1.05 ' NH1' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.57 -46.28 55.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.09 -45.24 42.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HE3' HD13 ' A' ' 98' ' ' ILE . 3.5 mmpt? -84.76 10.22 11.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -154.56 152.37 29.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.722 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.02 125.1 53.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.895 HG12 HD12 ' A' ' 110' ' ' LEU . 86.7 t -126.18 156.14 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.98 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.7 p -158.17 135.68 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.687 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.4 p -138.89 -167.77 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 78.54 36.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.78 HG23 ' N ' ' A' ' 83' ' ' SER . 3.1 tp -75.58 -157.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.78 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -176.77 169.74 1.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -9.06 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.21 25.7 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.2 t -139.7 -36.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.513 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.08 -11.79 60.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.72 -24.36 64.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 89' ' ' LEU . 4.8 mt -63.85 -45.78 87.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 60' ' ' LEU . 18.3 m-85 -85.83 -22.86 27.4 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.36 -33.98 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.0 ttt -83.56 -36.42 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -28.49 68.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.98 10.61 65.29 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.5 tp -106.65 9.08 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.586 0.815 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -49.11 -36.28 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -21.44 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.31 -12.7 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 29.7 mm -117.32 -11.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 1.1 ttp180 33.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.98 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -103.71 172.29 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.594 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -145.18 -143.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.867 ' O ' ' N ' ' A' ' 105' ' ' GLU . 85.3 mt-30 -154.35 93.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' ' 107' ' ' GLN . 12.9 t 50.79 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -35.83 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.612 ' OE1' HG13 ' A' ' 78' ' ' VAL . 4.6 tt0 -68.76 -13.92 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.809 ' N ' ' O ' ' A' ' 104' ' ' SER . 11.3 pt20 -33.41 -31.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.61 -53.52 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -63.97 -19.36 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.895 HD12 HG12 ' A' ' 78' ' ' VAL . 13.1 tp -57.64 -35.71 70.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.912 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.92 -5.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.361 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.848 HD22 ' ND1' ' A' ' 44' ' ' HIS . 2.3 tt 96.65 26.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.407 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.92 24.96 0.19 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' A' ' 112' ' ' LEU . 25.1 t -143.27 71.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 0.819 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.912 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.887 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -85.8 -156.1 26.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.642 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.01 134.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.564 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -147.87 143.06 27.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 31.3 mtt -139.41 138.72 36.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -146.56 147.82 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.26 136.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.927 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.2 106.52 5.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.72 -27.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.15 -5.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.959 HG11 HG23 ' A' ' 111' ' ' THR . 9.6 p -86.1 124.49 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.59 96.97 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.852 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -72.12 136.01 46.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -128.34 102.71 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -98.54 102.31 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -95.92 131.73 41.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.887 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.695 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 149.9 -119.63 1.05 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -121.65 156.53 32.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.869 HD21 ' HA3' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -117.92 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.635 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -141.49 171.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.765 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -46.5 -23.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.765 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.8 m-70 -79.19 -50.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.624 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -81.12 -30.0 34.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -61.31 -15.06 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.77 -51.93 65.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.09 -48.27 8.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 tp -71.8 -26.23 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.72 -44.17 81.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 16.9 pt20 -75.91 -19.73 58.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.376 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.764 ' HE3' HH21 ' A' ' 66' ' ' ARG . 51.0 tptt -73.67 -31.78 63.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 29' ' ' LEU . 3.0 t -62.08 -58.02 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.76 -31.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.798 HE21 HG23 ' A' ' 34' ' ' THR . 7.5 mm-40 -66.8 -39.32 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -76.95 -25.89 53.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -49.08 -35.02 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 7.8 mt-10 -168.44 75.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.47 -52.03 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 150.38 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.8 t0 -78.2 -127.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 42' ' ' ILE . 6.2 mm -147.06 79.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.2 mpt_? -80.26 -164.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.813 ' CE1' HD23 ' A' ' 112' ' ' LEU . 33.3 m-70 -135.59 160.3 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.177 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.88 160.07 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -158.53 84.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 110' ' ' LEU . 31.2 mt -82.98 152.96 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -178.66 108.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.805 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -99.56 114.61 27.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -23.36 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 27.9 t70 -118.71 62.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.902 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -90.54 108.8 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -125.44 -89.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CD2' ' OD2' ' A' ' 22' ' ' ASP . 56.9 t80 -45.91 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.885 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.37 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.8 t0 -102.71 -151.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -96.13 30.51 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.48 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -94.78 -49.74 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.869 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -93.42 -9.95 59.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.427 1.079 . . . . 0.0 111.019 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.54 -43.33 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.45 -33.38 28.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.61 -24.75 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.634 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.81 -35.32 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.44 -43.0 86.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.408 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -56.5 -24.04 44.98 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.764 HH21 ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.99 -40.13 28.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.753 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -56.31 -43.3 78.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -85.27 8.82 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.636 ' CG ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.507 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -150.75 145.49 25.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 0.716 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.721 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -112.53 124.64 52.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.921 ' H ' HD11 ' A' ' 45' ' ' ILE . 46.0 t -128.23 155.72 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.7 p -153.58 131.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 8.2 p -139.05 -167.84 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 79.58 21.5 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 1.2 tp -66.57 -154.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.29 175.3 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -75.01 -7.28 19.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.79 33.69 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.902 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.48 -36.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.568 ' CB ' HG12 ' A' ' 82' ' ' ILE . 3.1 pttt -76.1 -6.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.55 -16.55 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.1 mt -70.92 -45.13 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.64 -21.28 28.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -70.49 -34.15 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.6 ttt -80.4 -35.18 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -55.56 12.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.928 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.23 -10.79 54.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.536 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -86.3 8.92 19.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.92 -34.47 12.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -62.8 -21.51 65.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.863 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.78 -12.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.632 ' CG2' HG11 ' A' ' 79' ' ' VAL . 32.6 mm -116.84 -13.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 96' ' ' PHE . 55.7 mtt180 32.5 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -105.46 174.21 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.582 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -155.57 -145.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.819 ' O ' ' N ' ' A' ' 105' ' ' GLU . 81.5 mt-30 -155.64 97.98 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.784 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.5 t 53.22 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.819 ' N ' ' O ' ' A' ' 103' ' ' GLN . 43.8 tt0 -38.29 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -71.82 -13.43 61.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.9 pt20 -35.26 -30.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.34 -53.44 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CA ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -65.82 -17.17 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.623 1.202 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.783 HD12 HG12 ' A' ' 78' ' ' VAL . 12.6 tp -60.64 -41.34 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.959 HG23 HG11 ' A' ' 12' ' ' VAL . 3.8 m -59.18 -2.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.73 10.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 73.26 37.2 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.9 t -172.88 80.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 0.722 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.15 -167.89 37.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 177.69 136.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.66 ' N ' ' O ' ' A' ' 16' ' ' ARG . 4.7 t0 -139.99 172.46 12.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.9 mtp -157.11 134.39 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.93 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -135.17 175.09 9.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.2 t -143.25 136.85 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.726 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.51 104.53 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' O ' ' OG ' ' A' ' 11' ' ' SER . 5.0 tt0 63.01 -27.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.726 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.09 -1.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.878 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.48 121.5 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.35 108.4 20.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.666 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -73.72 126.94 31.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.841 ' HB ' HD13 ' A' ' 47' ' ' LEU . 9.6 mm -108.79 92.08 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.66 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -94.53 110.75 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.91 138.98 53.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -126.41 114.94 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.59 -131.61 2.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.777 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -125.82 153.18 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.891 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -110.35 103.69 12.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.58 164.91 35.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.483 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.6 p80 -41.03 -27.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -75.9 -55.42 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.667 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -78.29 -11.29 59.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.851 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -77.77 -26.13 49.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.33 -46.64 87.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -46.28 -49.71 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -66.54 -27.18 67.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.05 -42.37 49.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.88 -31.2 51.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.544 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 16.6 tptt -66.03 -11.89 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.918 HG22 ' HG3' ' A' ' 66' ' ' ARG . 11.5 t -77.29 -55.34 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.67 -41.07 63.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.544 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.4 mt-30 -63.2 -47.96 80.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -23.35 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.28 -32.25 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 35.3 mt-10 -160.74 75.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.32 -48.46 61.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.8 m-20 167.41 -93.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 28.2 t70 -79.93 -120.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.68 83.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.96 -166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.909 ' O ' HD22 ' A' ' 13' ' ' LEU . 39.6 m-70 -128.22 155.09 45.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.688 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.27 159.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.878 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -158.21 85.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.841 HD13 ' HB ' ' A' ' 15' ' ' ILE . 2.4 mm? -82.18 153.67 25.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 48' ' ' ASN . 3.4 t30 -178.28 109.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -110.01 127.59 54.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.72 -20.41 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 35.6 t0 -104.19 66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -89.28 101.84 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 t -112.63 -86.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 71.4 t80 -73.47 -67.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.891 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 34.93 82.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 8.9 t0 -104.76 -153.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -97.78 -3.77 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 22' ' ' ASP . 4.3 m -59.48 -12.56 6.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -129.78 3.44 6.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -51.86 -55.37 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.31 59.13 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.851 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -60.97 -22.36 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.2 mt -100.23 -38.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.909 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -66.12 -46.08 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.89 66.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.918 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.66 -30.57 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.73 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -59.01 -35.97 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 6.7 mmmt -86.05 -26.84 25.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.49 ' CG ' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 112' ' ' LEU . 4.6 mm-40 -148.46 149.5 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.596 ' HA ' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.8 123.67 47.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 111.003 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.582 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -114.38 155.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.778 HG22 ' CE2' ' A' ' 101' ' ' PHE . 7.2 p -164.06 122.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -122.71 -170.57 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.785 ' HB3' HD23 ' A' ' 49' ' ' LEU . . . 68.84 65.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.725 HD13 ' CD1' ' A' ' 101' ' ' PHE . 10.6 tp -90.75 164.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.79 158.52 56.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.931 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -14.15 21.38 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.799 . . . . 0.0 110.976 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . . . -122.12 30.51 6.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.573 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 1.2 t -142.62 -39.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.13 -12.45 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -71.15 -24.69 62.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 57' ' ' SER . 5.0 mt -61.7 -41.93 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.709 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 30.9 m-85 -90.5 -24.05 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -75.26 -34.02 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.31 -42.01 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -55.21 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.95 9.27 40.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 98' ' ' ILE . 1.7 tp -107.56 11.65 28.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -43.34 -29.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 111.071 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -21.86 64.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -82.44 -17.68 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.909 HD11 HD12 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -108.53 -15.96 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.549 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 29.42 85.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.1 t80 -107.31 170.59 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.62 -146.7 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.884 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.3 mt-30 -148.61 90.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 107' ' ' GLN . 30.6 t 48.17 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 103' ' ' GLN . 33.4 tt0 -34.22 -33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.606 ' O ' ' N ' ' A' ' 110' ' ' LEU . 1.6 tt0 -57.13 -14.09 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -33.55 -32.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.199 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.39 -61.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.641 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -60.77 -20.84 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -53.6 -40.08 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.882 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.74 -2.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.882 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 97.36 19.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.641 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 52.37 36.17 45.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.778 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 78.9 t -151.16 70.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.714 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.848 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.75 -161.67 31.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.684 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.5 133.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -146.35 144.08 29.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.667 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 50.9 mtp -135.82 135.2 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.803 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.8 164.79 28.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -129.4 143.74 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.23 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.15 103.78 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 63.7 -28.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.226 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.725 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.96 0.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.93 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.7 p -94.53 121.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.26 103.05 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.701 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.29 132.06 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 108.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -120.62 96.63 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -93.79 101.17 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 29' ' ' LEU . 5.7 mt -96.2 131.95 42.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.848 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -126.69 114.83 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.714 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.35 -104.45 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.399 1.062 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HD13 ' A' ' 2' ' ' LEU . 2.4 mt-10 -146.72 156.61 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.5 OUTLIER -119.84 84.38 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -128.52 169.95 13.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.736 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -49.42 -17.25 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.657 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.736 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.5 m-70 -86.99 -49.89 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.639 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -79.62 -30.8 41.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -54.71 -36.52 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.74 -51.93 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.446 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.42 -48.74 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.6 tp -67.1 -27.41 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.61 -43.05 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.51 -29.14 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HZ3' ' CE ' ' A' ' 6' ' ' MET . 22.8 tptt -70.36 -10.44 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.3 t -85.64 -51.66 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.05 -38.24 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.5 pp0? -57.84 -37.76 74.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.25 -27.24 42.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' CG ' ' A' ' 69' ' ' GLN . 1.1 mt -48.57 -40.73 28.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -163.89 74.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.75 -46.18 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.7 m-20 166.67 -91.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.37 -141.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.752 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -122.67 80.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.945 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -81.88 -168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.941 ' O ' HD22 ' A' ' 13' ' ' LEU . 44.8 m-70 -131.27 157.61 42.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.629 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.807 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.69 157.81 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.93 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -155.87 85.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' HD11 ' A' ' 110' ' ' LEU . 3.8 mm? -83.76 152.1 24.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -179.79 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.1 117.65 34.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -24.22 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 48.2 t0 -113.59 61.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -81.87 98.71 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -103.46 -80.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 66.7 t80 -80.32 -69.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 37.44 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 10.5 t0 -106.52 -146.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -98.35 -2.01 40.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -56.03 -38.91 71.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.688 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -108.85 9.2 34.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -51.59 -41.14 60.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 0.804 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.63 47.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.818 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -55.77 -26.38 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.488 HG13 HD23 ' A' ' 29' ' ' LEU . 1.2 mt -90.63 -34.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.039 HD12 HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -69.53 -31.63 69.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -64.71 -27.43 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.5 -37.27 51.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -57.84 -46.08 85.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -85.26 9.82 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' CG ' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -149.91 144.75 26.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.807 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 4.3 tpt -108.52 126.98 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.823 HG12 HD12 ' A' ' 110' ' ' LEU . 48.3 t -130.62 156.77 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.861 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.5 p -159.7 135.62 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 14.4 p -133.15 -169.91 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 108.256 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.54 48.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' N ' ' A' ' 83' ' ' SER . 6.7 tp -79.45 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.822 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER 179.67 163.83 0.81 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.91 20.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.35 27.25 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 1.3 t -140.28 -34.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 10.1 ttpp -69.67 -12.08 61.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -73.67 -20.3 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ASP . 4.3 mt -66.91 -45.36 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.716 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.37 -21.99 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.7 tpp -89.83 -30.9 17.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -66.41 -42.61 87.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.56 -7.84 71.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 64' ' ' LEU . 7.9 tp -87.71 12.48 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -55.93 -25.02 41.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -63.3 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.803 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -97.75 11.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 1.039 HD11 HD12 ' A' ' 64' ' ' LEU . 19.8 mm -123.93 -19.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 27.52 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.861 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -113.52 169.18 9.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -150.34 -144.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.874 ' O ' ' N ' ' A' ' 105' ' ' GLU . 65.3 mt-30 -149.49 92.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 18.8 t 50.45 -63.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.874 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.7 tt0 -34.99 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.59 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.2 tt0 -67.94 -7.56 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tt0 -35.31 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.31 -50.16 6.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.69 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.64 -22.76 67.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 78' ' ' VAL . 11.3 tp -55.87 -36.89 68.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.931 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -57.0 -7.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.015 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.64 21.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 1.001 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 45.94 49.8 12.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.4 t 179.04 74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.931 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.006 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.82 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -112.17 -168.85 18.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -179.36 136.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -146.12 143.63 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.641 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 24.9 mtt -131.82 133.11 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.856 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.34 164.79 27.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.51 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -131.2 143.38 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.63 103.95 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 63.54 -28.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.2 -1.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.907 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.5 p -93.92 120.12 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.25 105.4 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.72 131.48 40.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -118.99 91.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -93.46 108.59 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.72 136.33 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.82 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.5 p -127.51 114.33 17.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.62 -116.77 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.618 ' O ' ' CB ' ' A' ' 25' ' ' THR . 4.1 mt-10 -123.94 162.5 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 0.811 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -121.02 80.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.914 ' OD2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -140.4 172.76 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.82 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -44.89 -31.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.82 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 69.6 m-70 -72.94 -50.93 20.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.63 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.006 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.2 p -76.81 -31.73 57.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.702 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -60.97 -24.4 66.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -55.26 -55.32 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.73 -47.56 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 tp -70.92 -25.51 62.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -55.62 -44.16 76.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.821 ' O ' HG23 ' A' ' 34' ' ' THR . 17.9 pt20 -77.24 -19.34 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.53 ' HE2' HD11 ' A' ' 15' ' ' ILE . 17.2 tptt -74.58 -30.4 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.7 t -64.37 -57.56 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.34 -31.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.762 HE21 HG23 ' A' ' 34' ' ' THR . 6.4 mm-40 -66.24 -42.28 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -76.5 -26.61 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.071 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.6 mt -45.04 -39.44 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -165.51 76.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -69.26 -50.73 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.9 m-20 162.31 -92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.53 -114.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.78 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -149.32 82.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.859 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.57 -167.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.925 ' O ' HD22 ' A' ' 13' ' ' LEU . 45.7 m-70 -133.41 155.63 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.635 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.725 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.44 160.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.907 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -157.83 84.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.75 154.29 22.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -179.33 109.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.4 123.05 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.13 -21.87 16.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 24.0 t0 -103.85 67.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -92.95 125.49 37.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.692 ' N ' HD13 ' A' ' 52' ' ' LEU . 7.6 t -136.28 -89.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 56.6 t80 -56.74 -67.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.998 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 38.36 94.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 3.1 t70 -118.4 -155.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.1 p -98.69 32.03 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.519 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -92.91 -40.69 10.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.043 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -100.54 -3.7 55.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.94 -44.02 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.3 -32.78 41.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.81 -25.56 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -88.61 -34.74 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.931 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.93 -44.18 85.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.81 -23.16 43.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -82.8 -36.56 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.724 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 1.7 t80 -59.78 -46.08 90.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' CE ' HD11 ' A' ' 98' ' ' ILE . 10.3 mmmt -79.41 4.25 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.596 HE21 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.779 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -153.34 154.73 35.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 4.2 tpt -113.53 128.25 56.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 ' HA ' ' A' ' 110' ' ' LEU . 54.2 t -126.92 149.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.859 HG13 ' CD2' ' A' ' 101' ' ' PHE . 11.0 p -155.7 135.17 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 9.4 p -138.51 -167.41 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 108.246 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.49 27.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.828 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -66.86 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.177 . . . . 0.0 109.338 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.828 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER 177.3 170.92 0.41 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.098 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -131.67 24.86 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.998 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.2 t -136.22 -37.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 ptmt -73.54 -8.3 55.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -74.21 -24.66 59.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.95 -44.42 85.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.712 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 17.0 m-85 -86.11 -19.88 29.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -72.86 -34.08 66.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.72 -32.63 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t -66.2 -29.37 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.13 74.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.6 tp -120.57 9.95 10.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.712 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.29 -34.96 16.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.19 -9.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.931 HD11 HD22 ' A' ' 64' ' ' LEU . 40.5 mm -117.93 -13.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.377 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.506 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.53 87.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.859 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.34 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.614 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.02 -150.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.876 ' O ' ' N ' ' A' ' 105' ' ' GLU . 62.2 mt-30 -152.15 92.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.781 ' O ' ' N ' ' A' ' 107' ' ' GLN . 21.1 t 49.52 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.876 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -34.93 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.672 ' O ' ' N ' ' A' ' 110' ' ' LEU . 8.5 tt0 -65.23 -9.75 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.781 ' N ' ' O ' ' A' ' 104' ' ' SER . 32.6 tt0 -33.89 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -89.38 -53.27 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -64.8 -16.73 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.909 ' HA ' HG11 ' A' ' 78' ' ' VAL . 4.7 tp -57.09 -38.03 72.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.937 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.53 -5.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.918 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.4 tt 98.43 27.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.78 26.59 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 114' ' ' VAL . 28.8 t -141.01 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.937 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.864 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -89.29 -154.1 28.64 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.28 133.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.69 141.92 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.653 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.6 mtt -136.28 134.61 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.636 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -138.83 162.13 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.631 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -129.1 142.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.03 104.93 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.1 tt0 62.57 -26.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.69 -5.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.891 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -84.63 126.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.01 100.01 11.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.808 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.41 133.75 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.354 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -125.15 96.72 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -92.46 105.04 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -97.94 129.56 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.373 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.864 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -127.47 114.48 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.07 -119.83 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.765 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -123.52 156.69 35.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.893 HD22 HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.44 97.48 6.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.49 168.79 24.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.755 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -44.63 -25.01 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.562 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.1 m-70 -76.2 -51.71 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -81.71 -29.84 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.972 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -62.99 -14.35 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.28 -50.95 68.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.23 -50.09 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.455 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 tp -69.64 -25.98 64.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.057 . . . . 0.0 109.213 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -54.84 -45.02 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' THR . 15.9 pt20 -76.2 -36.8 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.233 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 29' ' ' LEU . 34.4 tptt -60.16 -13.63 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.4 t -69.73 -56.44 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.64 -40.32 72.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.4 mt-30 -59.8 -43.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -24.11 53.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.735 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -52.56 -34.51 50.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.15 77.07 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -69.13 -46.62 67.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.1 m-20 170.18 -94.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.83 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.7 mm -147.74 91.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.552 ' NE ' HD23 ' A' ' 13' ' ' LEU . 2.6 mtm-85 -90.11 -165.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.984 ' CG ' HD22 ' A' ' 112' ' ' LEU . 93.4 m-70 -134.66 158.36 44.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.787 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -103.93 158.88 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.7 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.776 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.2 mp -83.22 152.43 25.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.589 HD22 ' HB2' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -178.32 108.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.898 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.45 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -21.08 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.769 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 37.8 t0 -103.66 67.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -94.43 123.84 38.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.367 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.675 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -133.72 -88.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.423 1.077 . . . . 0.0 109.976 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -64.09 -61.87 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 1.03 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 41.6 97.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 6.6 t70 -112.03 171.85 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.6 t -68.81 -3.67 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 5.2 m -56.89 -44.41 82.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.31 -8.11 75.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.29 -43.25 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.48 -33.49 31.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.972 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.29 -24.94 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.763 . . . . 0.0 109.202 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -88.52 -35.02 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.94 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -63.35 -42.16 98.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -54.89 -33.8 56.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.36 -42.89 71.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.715 ' CG ' ' HG3' ' A' ' 77' ' ' MET . 2.4 t80 -53.66 -46.01 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -89.8 24.56 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.735 ' CG ' HD22 ' A' ' 37' ' ' LEU . 1.9 mp0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.657 ' HG3' HD12 ' A' ' 112' ' ' LEU . 5.0 mm-40 -138.78 146.97 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.787 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -120.07 122.97 42.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.712 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 2.9 t -132.85 156.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.719 HG22 ' CE2' ' A' ' 101' ' ' PHE . 12.3 p -157.8 131.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 21.2 p -130.82 -171.34 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.93 74.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.774 HG23 ' N ' ' A' ' 83' ' ' SER . 2.4 tp -113.61 -144.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.774 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 174.19 166.46 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 0.96 8.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -134.02 23.09 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.03 HG22 ' SD ' ' A' ' 55' ' ' MET . 10.0 t -135.3 -36.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.547 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -73.68 -9.73 58.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.76 -26.08 63.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.14 -45.64 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.6 m-85 -85.56 -22.01 28.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -71.39 -34.79 70.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.1 ttp -85.59 -31.8 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -66.29 -39.31 89.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.48 84.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.544 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 tp -111.85 9.56 20.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.97 -34.77 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -22.94 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -86.44 -8.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.94 HD11 HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -114.75 -14.93 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 99' ' ' ILE . 7.4 ttm180 30.68 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.719 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -114.11 171.96 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.608 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -152.21 -148.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.837 ' O ' ' N ' ' A' ' 105' ' ' GLU . 52.2 mt-30 -148.24 94.25 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.6 t 53.27 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.837 ' N ' ' O ' ' A' ' 103' ' ' GLN . 23.9 tt0 -39.0 -28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.5 tt0 -74.43 -18.12 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 tp60 -33.39 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -80.69 -57.1 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.492 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -59.92 -27.11 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 47' ' ' LEU . 15.4 tp -54.0 -40.17 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.988 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -59.5 -2.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 111' ' ' THR . 0.1 OUTLIER 100.13 25.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.492 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 75.81 71.77 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 114' ' ' VAL . 0.5 OUTLIER 40.72 52.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HA ' HD21 ' A' ' 112' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.048 HD12 ' HB ' ' A' ' 25' ' ' THR . 1.6 tt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.767 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -114.25 -155.75 11.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 173.7 138.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -150.06 142.99 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.1 mtm -134.11 136.86 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.682 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -142.14 165.0 28.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -132.77 149.36 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.768 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -157.83 107.53 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.6 tt0 64.78 -28.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 158.63 -2.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.885 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.2 p -88.77 123.87 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.789 HD23 ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -96.83 102.44 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.227 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.809 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.13 134.95 42.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.98 96.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ASP . 1.3 mtt180 -96.41 106.88 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.63 134.35 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.767 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -126.27 112.75 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.741 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 166.03 -118.11 0.78 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.85 164.78 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.41 80.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.644 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.53 169.49 17.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.787 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -49.31 -20.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.787 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.0 m-70 -84.63 -45.79 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.048 ' HB ' HD12 ' A' ' 2' ' ' LEU . 2.4 p -80.35 -32.96 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -69.74 -20.91 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -65.94 -53.34 40.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.49 -48.85 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.7 tp -65.94 -28.65 69.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -45.95 -42.94 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.35 -30.54 63.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HZ2' HG12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -73.21 -14.44 61.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' LEU . 13.7 t -83.03 -53.7 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -45.27 -38.39 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.467 ' NE2' ' HG2' ' A' ' 32' ' ' LYS . 2.3 pt20 -58.6 -41.94 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -76.45 -26.32 55.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -49.36 -33.89 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.6 mt-10 -163.24 73.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.35 -46.91 59.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 11.1 m-20 164.71 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -77.59 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.701 HG22 ' O ' ' A' ' 42' ' ' ILE . 2.0 mm -147.42 85.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HE ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -82.98 -165.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.702 ' N ' ' O ' ' A' ' 11' ' ' SER . 41.2 m-70 -131.68 158.99 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.643 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.688 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.33 158.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.63 88.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.465 1.103 . . . . 0.0 109.191 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.983 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.5 154.22 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.8 t30 -178.03 107.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.93 125.39 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.17 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.623 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.8 t0 -105.1 67.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -95.51 126.23 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.621 ' N ' HD13 ' A' ' 52' ' ' LEU . 16.2 t -138.92 -87.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.715 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 68.1 t80 -54.81 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.16 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.715 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -116.78 -149.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.4 p -93.67 29.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.514 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -94.51 -59.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.17 -11.2 73.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.437 1.086 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.47 -42.63 54.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.65 -34.61 30.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.11 -24.24 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.829 HG13 HH21 ' A' ' 66' ' ' ARG . 0.8 OUTLIER -91.51 -38.73 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.955 ' HB2' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.81 -29.79 64.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.849 ' N ' HD13 ' A' ' 64' ' ' LEU . . . -70.77 -13.87 72.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.829 HH21 HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -85.21 -43.05 14.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.695 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.5 t80 -54.14 -47.06 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.47 1.23 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.565 ' HG3' HD22 ' A' ' 112' ' ' LEU . 4.1 mm-40 -143.09 147.46 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.646 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.38 130.44 50.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.942 HG13 HD12 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -122.07 157.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 ' CE2' ' A' ' 101' ' ' PHE . 8.4 p -166.77 121.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.802 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.6 p -128.02 -169.45 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.227 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.89 37.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -65.31 178.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.01 158.63 21.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.87 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.98 25.38 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.9 t -134.71 -38.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -74.04 -10.18 59.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -67.06 -30.12 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.46 -39.51 85.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.613 ' HB3' ' CG ' ' A' ' 96' ' ' PHE . 97.1 m-85 -82.91 -23.51 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.7 -35.65 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.1 ttp -89.66 -20.49 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t -66.62 -37.89 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.77 5.35 74.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.5 tp -114.52 10.93 16.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CG ' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.43 -36.06 9.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -60.26 -22.35 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.022 HG22 HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -80.51 -30.22 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 98' ' ' ILE . 1.3 mp -93.49 -14.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER 29.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.701 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -103.44 167.48 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.602 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -139.98 -148.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.877 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.6 mt-30 -151.57 94.7 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.662 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.2 t 50.08 -62.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.027 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.1 tt0 -36.24 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.613 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.2 tt0 -61.76 -10.51 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -33.9 -31.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.69 -55.9 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.696 HD13 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -62.83 -16.93 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 47' ' ' LEU . 12.4 tp -57.09 -40.64 77.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.868 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -56.38 -6.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.477 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.014 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.94 21.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 1.012 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.95 49.76 9.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.6 t -179.28 73.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 0.795 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.868 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.778 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.841 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.83 -163.92 35.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.709 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.63 130.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -138.33 156.38 47.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.674 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 82.8 mtp -148.47 133.79 18.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -144.02 140.84 29.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -110.73 144.96 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.933 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -154.32 107.87 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.0 tt0 65.76 -25.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 155.21 -5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 9' ' ' LYS . 12.0 p -86.91 124.88 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.63 98.01 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.6 m -73.63 130.57 40.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -122.02 101.9 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -95.14 101.97 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD21 HG12 ' A' ' 4' ' ' ILE . 6.9 mt -96.29 130.53 43.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.841 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.62 113.75 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.11 -113.57 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -123.68 160.2 27.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.06 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -121.51 80.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.1 p-10 -139.97 177.8 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.766 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -47.38 -29.25 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.766 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 76.6 m-70 -70.91 -54.02 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.778 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.4 p -78.2 -28.81 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -66.44 -15.54 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -72.87 -46.74 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.461 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -46.15 -48.54 17.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.811 ' C ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.35 -28.2 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -48.5 -42.45 32.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.648 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.29 -31.54 60.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 29' ' ' LEU . 9.1 tmtm? -66.41 -12.69 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.723 HG13 ' HG2' ' A' ' 66' ' ' ARG . 13.9 t -75.59 -55.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.64 -38.32 60.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 15.3 mt-30 -62.86 -46.18 89.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -23.87 53.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.59 -39.45 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 63.0 mt-10 -161.97 72.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.4 ttpt -71.41 -47.32 56.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.4 m-20 166.79 -92.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.66 -116.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.3 mm -149.77 86.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.2 -165.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.853 ' CE1' HD22 ' A' ' 112' ' ' LEU . 42.0 m-70 -132.86 159.36 40.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.854 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -110.46 161.51 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 46' ' ' VAL . 1.2 t -158.06 84.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.675 HD21 HH22 ' A' ' 66' ' ' ARG . 3.7 mm? -81.86 151.65 27.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -176.95 108.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.06 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.1 125.57 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -22.92 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.688 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 26.0 t0 -104.73 66.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.44 125.1 36.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.714 ' N ' HD13 ' A' ' 52' ' ' LEU . 11.6 t -137.55 -87.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 2.3 t80 -62.36 -60.85 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 1.008 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 37.89 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.5 t70 -108.36 171.03 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -69.65 -4.22 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.499 ' HB3' ' N ' ' A' ' 23' ' ' HIS . 62.4 m -55.09 -38.21 67.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.19 -10.56 58.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.34 -45.19 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.22 -34.12 33.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.48 HG22 HD12 ' A' ' 99' ' ' ILE . 1.1 mt -93.74 -38.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.25 -49.38 64.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -57.66 -24.7 53.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.723 ' HG2' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -81.99 -30.5 31.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.2 t80 -62.18 -42.6 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.7 -31.19 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.486 ' CD ' ' CD1' ' A' ' 37' ' ' LEU . 2.4 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.731 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -156.52 157.59 35.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.854 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -122.4 131.22 53.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.88 HG11 ' HA ' ' A' ' 110' ' ' LEU . 67.7 t -126.02 151.46 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.848 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.7 p -150.24 132.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 30.5 p -137.56 -169.09 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.03 29.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.3 tp -67.33 -149.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.834 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.16 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.43 21.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.09 30.92 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.008 HG22 ' SD ' ' A' ' 55' ' ' MET . 4.3 t -143.75 -37.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -74.87 -9.24 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.62 -17.36 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 6.3 mt -70.48 -44.97 66.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.716 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 22.0 m-85 -85.18 -21.87 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.17 -34.17 72.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.4 ttp -90.42 -26.63 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -66.82 -32.18 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.87 18.5 78.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.511 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.4 tp -123.1 9.17 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.62 -33.44 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.1 -23.48 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.797 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -83.04 -10.54 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 45.5 mm -116.4 -14.38 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.482 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER 32.75 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -104.37 173.69 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.41 -146.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.882 ' O ' ' N ' ' A' ' 105' ' ' GLU . 69.9 mt-30 -154.99 94.72 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' ' 107' ' ' GLN . 27.7 t 48.81 -63.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -34.71 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.607 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -64.76 -9.41 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tp-100 -33.64 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -84.7 -53.98 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -64.9 -18.93 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.88 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.37 -42.68 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.955 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -56.07 -4.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.356 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.853 HD22 ' CE1' ' A' ' 44' ' ' HIS . 3.1 tt 96.87 26.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 41.49 25.55 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.18 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.772 ' HB ' HD23 ' A' ' 112' ' ' LEU . 53.8 t -148.3 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.955 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.873 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -101.24 -169.04 28.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 175.53 135.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -141.89 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.8 mtp -156.17 136.16 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.942 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -138.9 173.67 11.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -139.16 132.2 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.752 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -141.58 104.31 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.4 tt0 62.29 -26.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.752 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.51 -5.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.938 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -92.12 121.38 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -95.47 106.47 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.687 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -73.24 127.95 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.381 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.7 mp -114.52 98.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -97.69 108.5 21.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -115.27 133.53 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.099 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.2 p -124.0 114.85 20.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.676 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.32 -111.21 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.09 159.9 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.3 OUTLIER -125.03 94.24 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -141.27 165.79 26.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.747 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -41.61 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.747 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.2 m-70 -86.77 -55.32 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.873 ' HB ' HD13 ' A' ' 2' ' ' LEU . 9.0 p -78.78 -2.5 39.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -79.34 -35.68 40.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.31 -49.15 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -44.85 -45.02 9.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.35 -28.53 62.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.25 -43.5 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 34' ' ' THR . 0.5 OUTLIER -59.93 -36.45 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.0 tptt -67.87 -18.15 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.718 HG12 ' CD2' ' A' ' 37' ' ' LEU . 17.1 t -70.11 -56.46 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.61 -41.97 61.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.566 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 mt-30 -60.94 -46.3 91.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -23.15 54.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.937 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.24 -35.36 36.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 6.3 mt-10 -168.82 79.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.88 -50.87 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 150.37 -82.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.1 t0 -73.75 -130.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 42' ' ' ILE . 11.6 mm -144.0 77.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.64 -166.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 1.096 ' CD2' HD22 ' A' ' 112' ' ' LEU . 81.0 m-70 -134.83 160.43 38.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.928 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -109.03 158.62 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.938 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -157.18 86.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 1.6 mp -80.16 156.47 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.534 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -175.53 110.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.686 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.08 125.8 46.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -23.65 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' HA2' ' A' ' 19' ' ' GLY . 18.1 t0 -118.68 63.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.714 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -85.61 103.1 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 t -109.11 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.735 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 86.1 t80 -85.62 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 38.0 85.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.735 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.2 t70 -108.84 -149.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 77.7 p -100.65 -0.38 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 2.9 m -63.2 -12.03 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.63 10.0 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.79 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.39 -54.39 32.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -56.31 -37.86 75.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -61.54 -20.58 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.38 -32.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -75.48 -24.07 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -75.71 -15.61 81.18 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -91.9 -37.33 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 0.824 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.6 t80 -56.71 -45.27 81.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 2.4 mtmt -81.07 8.02 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 37' ' ' LEU . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -162.0 147.26 13.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.928 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 5.0 tpt -108.0 130.45 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.926 HG12 HD23 ' A' ' 110' ' ' LEU . 21.9 t -128.85 149.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.944 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.8 p -145.82 138.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HD11 ' A' ' 110' ' ' LEU . 1.8 p -126.33 -165.24 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.14 43.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.875 HD11 ' CB ' ' A' ' 87' ' ' LYS . 5.6 tp -61.91 170.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.54 163.8 17.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.23 42.45 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.695 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -154.16 -37.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.875 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -76.62 -8.55 57.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -80.69 -16.48 53.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' ASP . 6.7 mt -73.0 -41.47 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.79 ' CE2' HD21 ' A' ' 60' ' ' LEU . 16.0 m-85 -87.69 -20.64 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.81 -34.15 66.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -39.87 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -66.4 -29.95 70.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.1 1.92 57.44 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -95.65 9.7 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.08 -39.13 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -61.08 -20.41 62.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.743 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.64 -18.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.727 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -114.09 -11.63 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER 36.48 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.944 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.2 t80 -114.0 167.72 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -143.13 -134.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 105' ' ' GLU . 4.0 mt-30 -155.72 108.96 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.58 ' O ' ' N ' ' A' ' 106' ' ' GLN . 5.3 t 49.75 -76.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -31.92 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.757 ' HB2' ' HB3' ' A' ' 102' ' ' GLU . 2.8 tt0 -47.04 -24.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 1.044 ' HA ' HD12 ' A' ' 110' ' ' LEU . 31.4 tt0 -42.8 -20.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -92.0 -42.19 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.732 HD23 ' NE2' ' A' ' 106' ' ' GLN . 33.5 tp -72.94 -22.31 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.044 HD12 ' HA ' ' A' ' 107' ' ' GLN . 75.7 mt -55.22 -46.54 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 1.002 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -55.29 -2.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.451 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.096 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 99.09 18.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.13 19.91 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.4 t -149.21 80.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.979 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.869 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.69 -159.78 23.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 177.71 134.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.537 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -133.16 163.59 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 23.7 mtm -152.15 139.4 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.937 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.1 175.73 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.1 t -145.07 138.94 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.714 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.45 104.36 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.2 tt0 63.51 -29.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.714 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.51 -4.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.913 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.66 121.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -79.83 124.98 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.974 HG22 HD21 ' A' ' 17' ' ' LEU . 1.2 mp -113.94 101.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -91.25 117.29 29.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.974 HD21 HG22 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -102.14 127.07 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.06 115.68 18.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.79 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 144.7 -121.08 1.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.943 ' O ' HD13 ' A' ' 2' ' ' LEU . 1.1 mt-10 -126.03 157.54 37.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.712 ' CD2' HD13 ' A' ' 49' ' ' LEU . 1.2 mm? -121.14 99.94 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -149.28 165.19 32.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.491 ' N ' ' HB2' ' A' ' 58' ' ' SER . 1.9 p80 -41.7 -25.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.482 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -81.85 -56.3 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.553 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' HD22 ' A' ' 2' ' ' LEU . 25.6 p -79.85 -9.07 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -78.06 -15.18 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.53 -45.77 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -43.77 -48.13 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.844 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.1 tptt -56.81 -43.73 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' THR . 14.8 pt20 -74.26 -35.76 63.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 110.203 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 tptt -61.86 -13.54 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 29' ' ' LEU . 14.8 t -74.97 -55.02 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.14 -38.85 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 16.8 mt-30 -61.52 -45.44 94.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.658 ' HA ' HH21 ' A' ' 43' ' ' ARG . 0.2 OUTLIER -76.7 -23.12 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 0.0 110.036 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.838 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -48.5 -33.31 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 32.6 mt-10 -160.9 76.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.99 -49.16 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.7 m-20 164.19 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.0 t70 -79.38 -111.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 42' ' ' ILE . 2.0 mm -148.41 80.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.79 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.05 -170.94 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.923 ' CE1' HD22 ' A' ' 112' ' ' LEU . 55.2 m-70 -128.59 159.14 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.521 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.31 161.01 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' CG2' ' A' ' 12' ' ' VAL . 2.0 t -157.52 83.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.642 ' O ' HD21 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -83.62 153.51 24.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 110' ' ' LEU . 17.4 p-10 178.09 112.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.967 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.34 124.65 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -22.36 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 42.0 t0 -103.64 62.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.827 ' HA ' HD11 ' A' ' 49' ' ' LEU . 1.3 tm? -83.22 108.09 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.3 t -109.44 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 42.4 t80 -70.56 -79.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.926 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.55 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 5.3 t70 -112.23 -145.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD21 ' A' ' 89' ' ' LEU . 1.5 p -93.31 26.7 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -90.8 -55.31 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -85.82 -6.55 82.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.878 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.09 -42.67 60.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.95 -33.64 36.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.84 -23.85 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.0 mt -95.79 -31.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -73.67 -27.25 61.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.4 -14.32 77.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -91.04 -35.04 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.702 ' CD2' ' HB3' ' A' ' 77' ' ' MET . 2.0 t80 -60.93 -47.79 84.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -5.84 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.838 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.736 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -155.7 153.79 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.702 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.88 127.62 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.955 HG11 ' HA ' ' A' ' 110' ' ' LEU . 42.2 t -126.27 148.23 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.982 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.8 p -155.05 135.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 13.9 p -138.43 -169.6 2.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.92 40.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.827 HG23 ' N ' ' A' ' 83' ' ' SER . 5.3 tp -66.5 -146.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.827 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -177.89 162.23 1.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.5 18.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.01 30.61 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 52' ' ' LEU . 1.1 t -145.9 -35.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.536 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 4.0 ttpt -65.81 -18.89 65.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -65.3 -21.91 66.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.507 HD21 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -65.54 -46.8 78.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.878 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.7 m-85 -84.6 -23.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -69.79 -34.44 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.7 ttp -90.22 -26.53 20.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -65.92 -42.98 89.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.94 86.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.09 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.9 tp -112.1 10.2 20.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 0.734 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -48.14 -33.29 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -61.75 -24.28 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.694 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.37 -9.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.652 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.8 mm -116.02 -13.3 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.497 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 31.03 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.982 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -103.39 171.23 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -145.54 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.866 ' O ' ' N ' ' A' ' 105' ' ' GLU . 49.9 mt-30 -152.21 92.69 1.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.79 ' O ' ' N ' ' A' ' 107' ' ' GLN . 25.3 t 49.73 -63.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.866 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.4 tt0 -34.52 -31.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' A' ' 110' ' ' LEU . 7.5 tt0 -65.65 -10.13 33.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.79 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.0 tp-100 -33.78 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.99 -53.66 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.58 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.91 -18.81 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.955 ' HA ' HG11 ' A' ' 78' ' ' VAL . 5.1 tp -55.77 -36.25 67.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.941 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -57.35 -5.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.923 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.7 tt 97.67 26.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.58 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.22 26.19 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.714 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 36.2 t -145.37 71.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.941 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.909 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.832 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -144.62 79.64 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.82 HD12 ' H ' ' A' ' 5' ' ' ASP . 3.0 tp -70.59 151.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.82 ' H ' HD12 ' A' ' 4' ' ' ILE . 26.7 t0 -141.51 170.41 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.608 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 34.7 mtp -156.96 134.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.672 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -143.52 164.69 29.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -133.41 142.21 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.731 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.11 104.74 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.28 -27.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.738 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 161.57 -3.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.884 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -88.28 120.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.06 102.94 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.717 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.76 131.54 37.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 14' ' ' CYS . 1.6 mp -120.48 90.78 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -88.25 101.69 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 49' ' ' LEU . 1.9 tm? -103.39 124.9 49.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.832 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -127.9 110.38 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.909 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.42 -120.17 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' CB ' HG21 ' A' ' 25' ' ' THR . 0.1 OUTLIER -123.55 163.01 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD21 HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.3 88.74 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -142.04 169.23 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.725 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -47.77 -16.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.555 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.725 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.1 m-70 -95.79 -52.88 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.646 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.797 ' HB ' HD13 ' A' ' 2' ' ' LEU . 18.2 p -79.91 -20.72 45.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.15 -14.45 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -62.28 -46.97 86.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -43.16 -47.84 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.6 tp -72.67 -29.98 63.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -51.97 -43.41 63.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' THR . 17.5 pt20 -77.62 -33.34 53.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -63.76 -12.1 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' LEU . 11.8 t -75.52 -54.6 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -54.0 -39.06 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 19.9 mt-30 -62.73 -47.46 83.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -23.49 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.755 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -51.34 -34.13 32.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -165.26 76.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.252 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HZ3' HD23 ' A' ' 13' ' ' LEU . 8.0 ttpt -69.96 -47.12 63.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 165.86 -91.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.78 -140.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -125.95 82.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.63 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.62 -166.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 1.004 ' CD2' HD22 ' A' ' 112' ' ' LEU . 57.3 m-70 -127.8 159.98 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.62 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.227 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.56 157.67 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.884 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -159.01 84.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 110' ' ' LEU . 3.7 mm? -83.44 153.1 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -176.72 107.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.63 122.49 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.95 -22.97 16.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 19' ' ' GLY . 15.5 t70 -121.45 66.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -96.18 113.66 25.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -129.31 -88.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.648 ' CD2' ' OD1' ' A' ' 22' ' ' ASP . 59.2 t80 -47.56 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.865 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.43 87.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -100.47 -146.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -94.84 12.5 27.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.567 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -78.98 -61.07 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -78.56 -19.28 74.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.21 -44.47 53.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.24 -32.3 39.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -24.17 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -88.92 -34.68 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.62 -46.25 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.01 -9.77 42.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.722 ' CG ' HG13 ' A' ' 33' ' ' VAL . 2.1 mtp180 -100.29 -34.03 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CE1' ' HA ' ' A' ' 99' ' ' ILE . 2.5 t80 -54.91 -35.19 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.64 -25.83 22.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.68 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.977 ' O ' HD12 ' A' ' 45' ' ' ILE . 12.9 mm-40 -144.41 147.36 33.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.812 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.97 125.82 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.888 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.1 t -125.1 158.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.63 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.0 p -166.89 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 110' ' ' LEU . 17.7 p -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.58 40.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 83' ' ' SER . 3.7 tp -76.44 -144.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.788 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -177.87 161.94 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.69 11.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.39 27.07 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.913 HG21 HD12 ' A' ' 52' ' ' LEU . 3.0 t -139.45 -36.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.527 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.15 -9.58 58.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' N ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -71.02 -23.12 62.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.344 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 89' ' ' LEU . 2.4 mt -64.05 -46.14 85.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.729 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 20.1 m-85 -85.74 -21.64 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -71.36 -34.23 70.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ttt -83.92 -35.26 24.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t -65.46 -46.17 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.34 79.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.6 tp -94.07 10.65 32.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.81 -32.7 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.6 -22.35 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.696 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.17 -11.64 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.1 mm -115.37 -14.32 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER 32.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.66 171.49 7.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.0 -145.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.222 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.849 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.8 mt-30 -157.68 99.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.772 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.2 t 51.42 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.8 tt0 -38.16 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.6 tt0 -72.54 -23.0 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.237 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.8 tp60 -33.35 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -83.77 -62.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -59.46 -16.89 26.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.888 ' CA ' HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.9 -37.34 76.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 1.09 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -59.99 -0.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.004 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 105.63 16.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 109' ' ' LEU . . . 75.6 -4.71 41.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 115' ' ' ALA . 2.8 t -122.4 -139.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 1.09 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.825 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 tp . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.876 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -108.73 -156.11 17.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.567 1.167 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.92 134.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -145.43 144.82 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.698 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.1 mtp -137.76 136.05 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.806 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.62 164.56 28.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -127.83 140.59 48.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.55 103.75 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.3 tt0 63.41 -29.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.24 -2.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.951 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.0 p -91.87 123.48 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.806 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.74 101.8 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.698 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -71.56 130.23 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.2 mp -117.65 95.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 1.1 ttt180 -90.48 99.28 12.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -94.01 129.61 40.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.876 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.07 114.93 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.84 -118.99 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.3 mt-10 -129.54 155.74 45.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.734 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.012 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -117.4 83.8 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 1.038 ' OD1' HG23 ' A' ' 25' ' ' THR . 26.3 p30 -130.22 177.32 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.742 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.0 p80 -55.22 -16.56 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.742 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.4 m-70 -88.15 -47.84 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.038 HG23 ' OD1' ' A' ' 22' ' ' ASP . 6.6 p -78.48 -33.23 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.066 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.18 -46.12 68.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -53.51 -51.0 64.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 110.352 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 25' ' ' THR . 14.5 m -44.44 -46.64 9.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.069 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -68.42 -30.56 69.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.735 ' CD ' HH21 ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.38 -44.38 62.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.606 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -73.63 -33.89 64.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.662 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -73.37 -12.87 60.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.069 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.6 t -88.68 -52.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.606 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -43.12 -33.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.662 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 17.1 mt-30 -66.75 -46.25 76.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -77.85 -24.34 48.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.947 HD23 HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.13 -32.46 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 56.9 mt-10 -160.45 74.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HZ2' ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -70.99 -43.17 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.0 m-20 159.99 -84.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 40.7 t0 -74.6 -130.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -138.25 86.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.688 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 1.7 mtt85 -84.45 -166.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 1.076 ' CD2' HD22 ' A' ' 112' ' ' LEU . 70.1 m-70 -128.59 162.59 26.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.241 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.36 155.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.951 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -158.68 85.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.891 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -83.11 152.5 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -177.1 109.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.724 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -100.33 119.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.97 -23.24 18.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 54.7 t0 -114.42 63.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.907 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -84.44 104.63 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 t -111.62 -85.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 30.3 t80 -75.19 -61.09 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 1.012 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 31.77 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.072 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.8 t70 -99.39 -152.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -100.12 2.89 43.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -53.46 -36.74 61.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.72 7.98 31.86 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.678 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -50.41 -45.96 55.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.77 79.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -21.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.88 -40.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -69.18 -47.59 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.32 -12.21 63.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 1.01 ' CG ' HG11 ' A' ' 33' ' ' VAL . 1.2 mpt_? -98.64 -43.38 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -41.37 -37.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 5.0 mmmt -81.2 -34.56 32.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 66' ' ' ARG . 2.7 mt-30 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 45' ' ' ILE . 21.1 mm-40 -144.88 147.9 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.796 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.757 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.25 119.66 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.876 ' H ' HD11 ' A' ' 45' ' ' ILE . 21.1 t -131.01 151.64 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.757 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.5 p -151.25 135.44 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.716 ' HB3' HD13 ' A' ' 110' ' ' LEU . 13.9 p -125.43 -168.29 1.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.06 50.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.0 tp -70.25 172.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.87 162.0 23.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -124.31 45.25 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 52' ' ' LEU . 1.4 t -158.55 -35.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.744 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -80.37 -3.89 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.573 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -83.56 -16.51 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.573 ' CD1' ' NH1' ' A' ' 88' ' ' ARG . 17.3 mt -73.78 -42.36 61.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 13.3 m-85 -87.26 -18.71 29.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -74.5 -34.26 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.91 -40.89 19.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -33.47 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.7 -1.85 60.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.7 tp -90.72 10.72 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.02 -32.88 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -62.62 -21.77 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.753 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.57 -9.86 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -115.3 -14.51 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER 32.49 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.757 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.3 t80 -111.49 170.38 8.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.642 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -143.61 -145.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.2 mt-30 -148.51 88.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.761 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.4 t 48.9 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -35.06 -30.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.8 tt0 -66.42 -6.08 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 104' ' ' SER . 43.6 tp60 -35.95 -29.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.85 -47.83 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.701 HD22 ' HA2' ' A' ' 113' ' ' GLY . 0.2 OUTLIER -60.97 -29.12 69.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 47' ' ' LEU . 7.3 tp -49.54 -43.0 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -59.84 -0.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.076 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.27 18.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.701 ' HA2' HD22 ' A' ' 109' ' ' LEU . . . 49.0 20.16 1.79 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -150.05 78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.45 0.736 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.802 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 9.4 tp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -106.1 -151.98 19.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER 176.46 135.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.33 144.14 31.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 25.2 mtm -137.39 134.53 36.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -139.71 165.87 26.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -131.71 144.02 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.738 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.86 104.66 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.556 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 tt0 63.36 -26.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.738 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.86 -5.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.92 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.6 p -86.3 126.42 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.665 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.4 102.76 14.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.774 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.2 134.08 41.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -123.39 91.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -87.2 103.84 15.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.813 HD11 HD22 ' A' ' 29' ' ' LEU . 22.8 mt -96.87 130.81 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.833 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.21 114.27 16.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.802 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.17 -120.2 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.5 OUTLIER -124.18 159.56 29.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HA ' ' HG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER -117.93 93.11 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.952 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.3 p30 -148.64 169.03 21.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.56 -28.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' ASP . 7.8 m80 -74.81 -57.23 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.952 HG23 ' OD1' ' A' ' 22' ' ' ASP . 17.6 p -77.82 -14.96 59.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.72 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.16 -15.03 61.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -69.58 -44.97 69.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -45.34 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -70.88 -27.23 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.33 -42.77 96.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' THR . 17.7 pt20 -78.74 -22.67 46.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 23.7 tptt -72.24 -24.76 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.1 t -64.27 -59.51 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.833 HG23 HE21 ' A' ' 35' ' ' GLN . 0.3 OUTLIER -45.76 -31.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.833 HE21 HG23 ' A' ' 34' ' ' THR . 5.9 mm-40 -68.58 -44.4 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -76.4 -23.46 54.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -48.69 -35.51 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -164.27 75.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -71.77 -48.55 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.7 m-20 168.05 -93.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.25 -114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 42' ' ' ILE . 5.2 mm -147.38 80.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -77.86 -168.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.699 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 36.4 m-70 -131.23 159.5 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.233 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -101.45 158.23 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.92 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.02 85.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.479 HD11 ' NH2' ' A' ' 66' ' ' ARG . 3.6 mm? -83.85 151.55 25.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.484 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.0 p30 -179.43 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.61 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -21.3 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.7 t0 -106.63 67.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.839 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -93.26 124.51 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 2.0 t -134.84 -88.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.4 t80 -62.88 -60.71 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.967 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.15 94.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.665 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 8.3 t70 -113.74 171.2 7.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 9.6 p -69.79 -2.35 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.497 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.5 m -56.55 -40.17 74.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' HA2' ' HB1' ' A' ' 26' ' ' ALA . . . -92.58 -7.99 62.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.45 -43.3 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.07 -34.55 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -63.31 -24.43 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 0.814 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -34.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.028 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.41 -39.95 85.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.2 -22.77 44.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.579 1.174 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.661 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -87.64 -51.35 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.676 ' CE2' ' HA ' ' A' ' 99' ' ' ILE . 1.7 t80 -40.79 -37.65 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -37.2 36.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.802 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.754 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.6 mm-40 -141.96 148.36 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.72 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -116.3 124.9 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.872 ' N ' HD11 ' A' ' 45' ' ' ILE . 67.8 t -132.63 144.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.779 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.5 p -145.39 133.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -136.18 -170.04 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.11 47.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.815 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -90.55 -150.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.815 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 179.22 169.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.892 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.59 12.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -132.02 23.83 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.776 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.6 t -136.02 -37.23 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.495 ' CB ' HG12 ' A' ' 82' ' ' ILE . 8.7 pttm -72.28 -10.4 59.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.468 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -69.02 -28.07 66.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.5 -46.18 84.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.705 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 31.9 m-85 -86.45 -26.86 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.77 -33.96 74.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 20.8 ttt -81.17 -33.44 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -49.07 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.66 47.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.898 HD13 ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.45 11.56 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 0.0 109.327 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -45.64 -26.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -22.61 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.898 ' CG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.18 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 1.028 HD11 HD22 ' A' ' 64' ' ' LEU . 19.5 mm -114.8 -17.15 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 14.4 ttm-85 30.09 89.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.779 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -142.78 -146.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.852 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.5 mt-30 -154.54 95.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 107' ' ' GLN . 15.5 t 49.99 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.852 ' N ' ' O ' ' A' ' 103' ' ' GLN . 4.0 tt0 -34.7 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.1 tt0 -62.12 -12.66 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.72 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -34.24 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.71 -56.29 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.676 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -64.84 -12.17 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -62.78 -38.14 89.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.881 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -57.84 -6.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 110.46 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.993 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.48 23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 42.82 52.58 5.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER 176.27 81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.353 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.699 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 tp . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -103.72 -176.45 25.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER 179.47 131.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.644 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 t70 -134.86 171.24 14.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mtm -155.46 132.94 11.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.868 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.46 166.98 23.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.509 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -131.75 142.82 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.712 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.63 103.79 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.0 tt0 63.98 -28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.712 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.61 -2.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.963 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -93.97 120.0 42.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.54 107.18 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -74.66 137.85 42.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.7 mp -126.96 96.58 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.359 1.037 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.644 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -98.39 110.82 23.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.74 138.11 52.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.747 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.4 p -129.18 114.57 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.652 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 165.63 -118.43 0.8 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.458 1.098 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.05 162.56 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 0.802 . . . . 0.0 110.301 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.22 84.59 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.16 170.3 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' CB ' ' A' ' 58' ' ' SER . 3.1 p80 -45.53 -27.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.5 -50.41 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.699 ' HB ' HD13 ' A' ' 2' ' ' LEU . 1.4 p -79.49 -28.42 41.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.21 -17.83 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -68.21 -46.81 69.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 110.223 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -45.79 -48.57 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -65.77 -29.57 70.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.6 -43.55 12.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 39.2 tptt -66.74 -12.29 58.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.821 HG12 HD13 ' A' ' 37' ' ' LEU . 37.4 t -77.51 -55.55 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -50.46 -39.77 48.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 10.0 mt-30 -65.65 -49.05 70.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -24.42 54.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -50.46 -36.04 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 33.4 mt-10 -160.37 73.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.2 ptpt -72.87 -40.82 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.598 1.186 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 152.1 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -77.22 -139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -133.75 85.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.878 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.08 -168.08 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.918 ' O ' HD22 ' A' ' 13' ' ' LEU . 54.8 m-70 -127.93 159.7 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.09 161.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.963 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.22 86.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.913 HD11 ' HE3' ' A' ' 77' ' ' MET . 12.8 mt -85.7 154.99 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.43 108.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.82 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -111.91 127.4 55.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -22.1 13.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.618 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 32.5 t0 -104.74 67.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -96.57 125.68 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.683 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.1 t -139.67 -86.12 0.22 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.676 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 80.1 t80 -54.28 -70.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 1.006 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.48 91.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.676 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 6.8 t0 -112.64 -151.18 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 33.0 t -95.89 29.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.47 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -87.57 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -83.43 -16.27 69.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.882 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -44.94 61.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.373 0.69 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.86 -34.87 32.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.574 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.46 -21.53 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.726 . . . . 0.0 109.227 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.6 mt -98.44 -38.14 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -63.45 -50.18 70.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -25.39 71.89 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -84.29 -43.01 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -39.68 -44.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -70.82 -41.0 72.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.67 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.646 ' CG ' HD11 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -148.62 150.27 32.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.913 ' HE3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -104.23 131.14 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -121.11 157.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.233 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 101' ' ' PHE . 12.6 p -163.3 124.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 p -125.51 -170.68 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.53 34.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.7 OUTLIER -59.75 179.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -161.08 159.0 24.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.89 6.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -136.77 26.23 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.006 HG22 ' SD ' ' A' ' 55' ' ' MET . 13.9 t -134.31 -39.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 52.5 pttt -71.79 -10.48 59.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.69 -25.85 64.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.2 mt -67.99 -45.52 73.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.882 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 44.1 m-85 -82.52 -19.42 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -70.84 -35.78 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 mtt -88.92 -27.09 21.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.913 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.07 21.0 67.55 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.83 HD22 ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.81 12.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -42.08 -30.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -22.38 65.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.83 ' HB ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.65 -8.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.699 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 31.6 mm -114.91 -15.75 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 30.79 88.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -111.9 166.87 10.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -135.19 -146.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.904 ' O ' ' N ' ' A' ' 105' ' ' GLU . 29.6 mt-30 -154.64 96.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.745 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.1 t 46.64 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.904 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.4 tt0 -34.17 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.0 tt0 -61.71 -11.26 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.1 pt20 -35.08 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.193 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -93.12 -51.26 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.711 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.1 -15.11 62.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.916 ' O ' HG22 ' A' ' 46' ' ' VAL . 9.0 tp -55.31 -37.01 66.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.767 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.09 -4.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.2 OUTLIER 94.67 28.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.711 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 40.38 25.67 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.899 HG11 ' NE2' ' A' ' 44' ' ' HIS . 92.8 t -128.72 61.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.83 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -96.46 -163.17 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.88 132.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.561 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -143.54 145.76 32.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.644 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.2 mtt -139.12 135.08 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.31 163.57 32.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -127.78 141.37 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.54 104.73 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.6 tt0 63.14 -26.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.77 -2.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.917 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.8 p -89.32 124.96 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.05 100.71 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.861 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.3 m -74.25 138.09 43.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -129.33 102.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -99.27 100.38 11.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 4' ' ' ILE . 6.5 mt -96.24 129.36 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.83 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -128.06 115.43 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.14 -119.64 1.02 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.954 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -122.35 158.17 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -125.4 84.84 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.696 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -136.19 167.64 20.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.469 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.4 p80 -42.88 -26.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.2 m80 -77.73 -53.05 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.86 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -78.91 -21.34 47.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.41 -17.84 61.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -70.06 -45.76 66.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -47.12 -47.13 23.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -67.84 -28.08 67.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.78 -40.96 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.638 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.33 -33.28 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HB3' HD22 ' A' ' 29' ' ' LEU . 33.3 tptt -65.83 -13.1 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 66' ' ' ARG . 12.1 t -72.31 -56.55 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.83 -38.24 61.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 12.0 mt-30 -64.56 -47.46 78.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -26.55 56.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -51.22 -37.58 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 28.4 mt-10 -161.67 75.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 9.5 ttpt -69.1 -46.96 66.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 167.11 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -77.32 -139.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.1 83.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.52 -166.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 1.02 ' CD2' HD22 ' A' ' 112' ' ' LEU . 47.4 m-70 -130.8 160.54 34.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.217 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -102.83 157.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.917 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.23 87.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.24 154.06 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.464 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.84 109.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -100.26 123.62 44.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -23.39 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 56.9 t0 -122.2 63.33 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -84.64 99.64 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.0 t -103.19 -88.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 79.2 t80 -61.8 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 1.005 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.84 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.643 ' O ' ' HE2' ' A' ' 55' ' ' MET . 13.0 t0 -109.55 -144.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -95.98 6.09 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -62.98 -55.11 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.59 0.5 85.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.626 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -43.21 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.87 -35.99 26.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.618 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -64.43 -21.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -95.11 -37.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -67.29 -47.37 70.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -67.5 -14.06 64.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.83 ' HD3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.78 -38.82 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 3.8 t80 -45.87 -48.65 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.81 -36.66 56.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.753 ' CG ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.417 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.9 mm-40 -139.89 148.13 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.765 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.84 125.04 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.895 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -119.79 161.28 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.774 HG22 ' CE2' ' A' ' 101' ' ' PHE . 10.2 p -171.2 119.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.381 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 110' ' ' LEU . 21.6 p -123.77 -165.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.41 37.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.599 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.5 tp -59.72 171.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.448 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -152.39 153.22 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -10.57 21.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.68 34.12 4.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -149.01 -36.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.599 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.94 -12.17 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -71.82 -21.4 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.488 HD22 ' OG ' ' A' ' 57' ' ' SER . 11.5 mt -68.79 -45.34 71.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.629 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 21.8 m-85 -84.04 -19.3 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -73.54 -35.68 65.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 ttt -88.51 -29.62 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -67.13 -35.95 80.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.49 0.32 72.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.7 tp -99.71 10.91 40.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.08 -34.19 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -63.0 -21.47 66.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.734 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.92 -17.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.371 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 19.0 mm -111.33 -12.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.494 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 31.57 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.3 t80 -102.45 168.88 9.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -136.64 -148.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.9 ' O ' ' N ' ' A' ' 105' ' ' GLU . 25.8 mt-30 -145.73 85.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.756 ' O ' ' N ' ' A' ' 107' ' ' GLN . 34.0 t 48.69 -62.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.9 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.6 OUTLIER -33.76 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.576 ' NE2' HG22 ' A' ' 78' ' ' VAL . 5.7 tt0 -63.7 -8.76 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.2 pp0? -35.65 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.4 -48.78 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -63.35 -21.74 66.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 80' ' ' CYS . 22.0 mt -47.46 -45.55 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -58.19 -0.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.495 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.02 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 101.43 17.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 51.71 18.42 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.27 79.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.845 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 21.6 tp . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.842 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -107.65 -142.96 10.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.67 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 169.05 139.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -152.62 141.0 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.686 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -137.36 139.18 40.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.663 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.51 157.09 44.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.7 147.63 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.747 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -156.3 106.85 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.608 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 64.88 -27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.69 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 158.52 -5.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -85.61 123.98 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.27 101.28 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.787 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.61 130.88 40.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.299 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -121.69 97.11 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.179 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -94.4 105.88 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -100.27 129.35 46.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.842 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.76 113.83 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.845 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 157.18 -118.46 0.84 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.47 161.55 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.84 82.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 1.018 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p30 -142.18 175.32 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' N ' ' CB ' ' A' ' 58' ' ' SER . 4.0 p80 -47.11 -26.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' HB2' ' OD1' ' A' ' 22' ' ' ASP . 9.1 m80 -72.67 -53.13 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.018 HG23 ' OD1' ' A' ' 22' ' ' ASP . 3.4 p -79.38 -29.27 42.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.8 -16.07 63.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -72.23 -51.15 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.423 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -45.61 -47.25 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 62' ' ' VAL . 0.3 OUTLIER -67.98 -29.23 68.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.75 -42.54 25.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.21 -29.28 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HB3' HD22 ' A' ' 29' ' ' LEU . 10.1 tptt -67.87 -8.79 39.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.4 t -83.68 -51.81 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -54.8 -42.09 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -58.81 -43.22 90.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -77.71 -25.18 49.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.54 -34.14 24.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.404 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -162.63 73.73 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.1 ttpt -71.51 -47.22 56.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.1 m-20 165.33 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.6 t70 -78.56 -115.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.743 HG22 ' O ' ' A' ' 42' ' ' ILE . 2.5 mm -148.69 82.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -78.54 -166.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 1.109 ' CD2' HD22 ' A' ' 112' ' ' LEU . 48.0 m-70 -130.93 159.03 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.216 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.39 157.71 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.861 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.62 84.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -82.6 155.87 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.432 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.19 110.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -105.89 126.03 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.39 -22.71 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 27.5 t0 -105.1 67.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.2 tm? -92.09 124.32 36.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.5 t -135.22 -88.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -62.9 -62.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.989 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.8 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.748 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.4 t0 -109.05 -168.21 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 78.0 p -89.07 13.17 13.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.593 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -68.15 -47.64 67.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.511 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.95 -8.48 75.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.75 -42.99 58.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.03 -34.3 27.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.833 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.92 -23.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -93.07 -35.04 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -71.14 -40.37 71.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -23.34 68.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.741 ' CG ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -86.5 -50.12 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.2 t80 -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -29.86 59.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.786 ' O ' HD12 ' A' ' 45' ' ' ILE . 10.9 mm-40 -142.15 146.62 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.713 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -117.84 122.3 43.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.903 HG12 HD23 ' A' ' 110' ' ' LEU . 22.0 t -128.61 148.2 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.689 HG22 ' CE2' ' A' ' 101' ' ' PHE . 5.1 p -147.12 134.6 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.884 ' SG ' HD11 ' A' ' 110' ' ' LEU . 8.0 p -124.05 -165.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.96 56.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.631 HG22 ' HA ' ' A' ' 103' ' ' GLN . 1.1 tp -83.83 176.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.76 156.13 11.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.03 9.46 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -135.24 24.26 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.989 HG22 ' SD ' ' A' ' 55' ' ' MET . 9.1 t -135.09 -38.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.602 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.53 -14.2 62.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.231 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.36 -26.24 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 89' ' ' LEU . 5.9 mt -64.58 -44.3 91.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 24.7 m-85 -87.65 -21.31 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.35 -34.88 68.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.4 ttm -83.83 -34.47 24.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -66.18 -35.05 79.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.62 8.35 86.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.501 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -106.72 10.01 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.1 -33.61 12.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -63.12 -22.44 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -81.41 -13.6 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.4 mm -115.07 -12.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 2.2 ttt85 31.57 83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.8 t80 -101.81 172.96 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.25 -142.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.883 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -153.41 91.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' ' 107' ' ' GLN . 14.3 t 48.38 -65.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.919 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.3 tt0 -34.22 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.637 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.2 tt0 -64.64 -8.93 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 110' ' ' LEU . 20.7 tt0 -38.11 -29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.87 -40.18 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.637 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -66.85 -29.13 68.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.903 HD23 HG12 ' A' ' 78' ' ' VAL . 99.3 mt -47.99 -43.19 29.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 1.006 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -56.96 -3.38 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.477 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.109 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.9 20.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.637 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 69.7 1.23 29.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' H ' ' A' ' 115' ' ' ALA . 5.1 t -123.81 -138.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.911 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.791 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.47 -151.65 21.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 171.48 141.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -154.21 143.97 21.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.0 mtm -135.4 143.38 45.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.368 1.042 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.946 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.82 169.97 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -136.78 142.97 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -149.57 104.07 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.7 tt0 63.17 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.41 -3.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.19 119.05 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.96 109.65 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -75.47 127.5 33.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.657 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.2 mp -113.46 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -89.5 109.83 20.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -113.46 134.48 54.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -124.72 114.85 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.745 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 159.88 -121.82 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HG2' ' CB ' ' A' ' 54' ' ' PHE . 1.6 mt-10 -123.7 159.79 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.742 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -118.83 94.39 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -139.86 172.85 12.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.692 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -57.53 -15.57 7.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.692 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 57.7 m-70 -97.31 -38.58 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.911 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -82.72 -31.11 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -70.32 -32.99 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -54.96 -51.7 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -44.27 -47.55 9.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.9 tp -68.05 -30.34 69.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -44.87 -44.09 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 1.043 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.18 -32.29 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HE2' HD11 ' A' ' 15' ' ' ILE . 3.9 tptt -70.78 -17.36 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.6 t -86.82 -47.04 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 31' ' ' GLN . 9.1 t -43.91 -31.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 14.2 mt-30 -68.02 -46.49 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -25.09 41.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.715 HD11 ' HG2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -54.43 -32.96 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -161.09 68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.688 ' HZ3' ' HG2' ' A' ' 43' ' ' ARG . 5.2 ptmt -73.28 -47.43 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.3 m-20 175.66 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -75.88 -116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -146.68 87.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.24 -167.15 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.977 ' CE1' HD22 ' A' ' 112' ' ' LEU . 41.5 m-70 -126.59 157.56 38.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.156 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.18 161.24 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.919 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.61 84.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 79' ' ' VAL . 4.4 mt -84.62 153.65 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.642 ' HB3' HD11 ' A' ' 110' ' ' LEU . 2.1 p30 -179.36 108.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.918 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.28 116.47 31.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 -20.78 26.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.8 t0 -103.55 66.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 55' ' ' MET . 3.3 tm? -86.88 109.03 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -112.34 -86.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 60.7 t80 -69.99 -78.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.956 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 46.85 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.807 ' HA ' HD11 ' A' ' 89' ' ' LEU . 10.1 t0 -117.32 -151.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -91.19 28.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.535 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.57 -38.41 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.09 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -103.27 -10.91 35.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.54 -55.07 14.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.29 -31.3 69.35 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -68.15 -21.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.574 HD12 HG12 ' A' ' 62' ' ' VAL . 1.3 mp -102.4 -37.89 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HA ' HD11 ' A' ' 99' ' ' ILE . 1.8 tt -72.22 -37.46 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.25 -12.11 65.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.938 ' CD ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.24 -41.79 8.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' ' CG ' ' A' ' 77' ' ' MET . 1.8 t80 -44.96 -42.66 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.56 -27.2 58.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.715 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.248 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -158.32 158.05 33.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 0.719 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.842 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.3 ppp? -120.32 133.68 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.905 ' N ' HD11 ' A' ' 45' ' ' ILE . 65.5 t -127.2 135.51 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.004 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 3.0 p -133.08 128.47 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 31.3 p -131.18 -170.45 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.918 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.18 30.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' CE1' ' A' ' 101' ' ' PHE . 5.3 tp -59.32 -147.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.792 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.63 165.53 0.89 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 18.3 Cg_endo -75.02 -8.13 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.76 29.98 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.821 ' CG2' HD11 ' A' ' 52' ' ' LEU . 1.7 t -142.07 -37.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.514 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.32 -13.75 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -69.35 -26.23 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -60.66 -46.84 88.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.8 m-85 -84.61 -22.68 29.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -74.09 -34.0 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 mtp -76.51 -42.08 44.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -49.6 65.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.92 -6.06 59.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.15 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.538 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.0 tp -87.04 9.19 20.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.48 -33.33 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -22.63 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.649 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.87 -9.63 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.715 HD11 ' HA ' ' A' ' 64' ' ' LEU . 46.3 mm -116.39 -14.05 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 30.47 87.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 1.004 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -103.94 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.604 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -151.24 -146.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.858 ' O ' ' N ' ' A' ' 105' ' ' GLU . 91.0 mt-30 -157.0 95.35 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.769 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.9 t 50.76 -63.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.858 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.9 tt0 -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.615 ' OE1' HG13 ' A' ' 78' ' ' VAL . 3.7 tt0 -66.59 -7.44 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -34.6 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.44 -51.41 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -64.19 -21.57 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.801 HD21 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.56 -42.19 64.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 1.016 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.12 -4.74 0.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.977 HD22 ' CE1' ' A' ' 44' ' ' HIS . 1.3 tt 97.93 26.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.1 17.02 50.82 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.924 ' CG2' HD23 ' A' ' 112' ' ' LEU . 2.3 t -112.23 -144.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 1.016 ' HB3' HG21 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.82 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.853 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -100.01 -157.25 28.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.74 130.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.476 ' C ' ' HG3' ' A' ' 6' ' ' MET . 0.4 OUTLIER -142.0 141.13 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.675 ' HG2' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -137.69 134.82 35.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.38 166.36 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.666 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -132.67 143.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.73 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.89 104.92 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 63.28 -28.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.35 -3.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.912 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -88.27 122.47 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.212 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.739 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.63 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.58 144.86 47.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.675 ' CD1' ' HG2' ' A' ' 6' ' ' MET . 9.0 mm -134.67 90.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -92.03 106.55 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.27 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.707 HD12 HD11 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -103.46 127.33 50.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.72 113.87 17.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.82 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.66 -116.66 0.74 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.568 ' C ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.7 161.19 24.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.734 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.63 91.9 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.54 170.68 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -74.29 -49.42 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.703 ' HA ' HD22 ' A' ' 2' ' ' LEU . 1.2 p -81.77 -30.51 32.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -62.4 -14.2 37.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.99 -47.81 67.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -42.79 -43.67 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.35 -30.5 60.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tptt -51.11 -47.14 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 34' ' ' THR . 11.8 pt20 -67.92 -33.36 74.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 29' ' ' LEU . 42.1 tptt -68.34 -14.46 63.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.6 t -63.99 -62.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.972 HG23 ' NE2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -49.33 -39.79 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.972 ' NE2' HG23 ' A' ' 34' ' ' THR . 12.9 mm-40 -62.58 -46.09 89.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.99 -25.57 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 mt -47.91 -41.32 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.28 78.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.23 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.19 -47.23 62.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 8.1 m-20 176.5 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 39.4 t0 -79.16 -107.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.9 mm -151.63 87.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HE ' HD23 ' A' ' 13' ' ' LEU . 1.8 mtm-85 -81.14 -166.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.794 ' CG ' HD22 ' A' ' 112' ' ' LEU . 52.7 m-70 -130.99 159.83 36.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.6 159.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.912 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -157.91 82.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.7 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.2 mp -82.58 154.08 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' HB2' HD11 ' A' ' 110' ' ' LEU . 3.4 t30 -177.7 107.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.794 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.06 121.82 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -22.62 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.4 t0 -104.03 65.93 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.867 HD11 ' HE2' ' A' ' 55' ' ' MET . 1.0 OUTLIER -93.62 126.75 38.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.679 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.4 t -137.31 -88.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.707 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -60.27 -65.66 0.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.944 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.958 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 40.04 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.707 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -104.24 -159.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 6.0 p -97.01 22.51 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.592 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 1.3 m -77.82 -59.06 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -18.51 79.64 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.587 1.179 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.52 -44.04 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.47 -32.62 30.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.497 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.78 -21.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.231 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 99' ' ' ILE . 1.5 mt -94.94 -35.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -71.17 -45.8 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.736 ' HA3' HH21 ' A' ' 66' ' ' ARG . . . -64.2 -14.98 58.04 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.756 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -100.04 -44.69 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.704 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -42.01 -35.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.796 ' CD ' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -77.09 -37.72 53.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.666 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -149.99 150.97 32.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.671 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.75 126.33 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 112' ' ' LEU . 59.2 t -131.38 130.91 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.6 p -138.0 134.63 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -125.83 -167.18 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.69 48.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.757 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.7 tp -73.36 170.43 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.48 156.72 30.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -0.78 10.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.74 29.29 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.3 t -142.22 -38.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.757 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.61 -10.94 60.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -70.96 -15.69 62.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.2 mt -74.33 -45.27 48.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.839 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.3 m-85 -85.06 -20.39 30.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.09 -34.66 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 mtp -89.78 -27.82 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -66.72 -26.87 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.39 15.7 59.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.2 11.57 10.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -44.64 -27.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -63.11 -23.41 67.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -85.34 -5.94 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.668 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 36.7 mm -114.63 -15.77 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.62 81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.777 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.4 t80 -105.68 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -137.81 -147.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 13.1 mt-30 -150.34 90.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 32.5 t 47.34 -65.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -33.18 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.63 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 8.2 tt0 -61.61 -10.68 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.5 pt20 -34.18 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.11 -51.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.558 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -62.14 -20.62 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -48.89 -44.13 39.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.628 1.205 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -54.83 -5.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.884 ' HA ' HG21 ' A' ' 78' ' ' VAL . 2.2 tt 96.29 28.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.558 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 40.72 27.05 0.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 114' ' ' VAL . 6.7 t -136.88 70.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.822 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.389 -0.596 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.817 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -110.59 -152.57 13.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 176.19 135.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -145.51 141.59 28.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 88.6 mtp -135.09 137.94 43.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -143.71 151.98 40.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.55 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -122.68 136.01 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.795 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -141.42 106.06 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.0 tt0 64.02 -27.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.27 -5.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.886 ' CG2' HG23 ' A' ' 46' ' ' VAL . 11.3 p -86.12 122.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.49 101.52 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.36 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.756 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -76.08 129.55 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.5 mp -120.79 97.25 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 1.4 ttt180 -92.38 100.0 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 4' ' ' ILE . 1.2 mm? -92.87 129.42 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.817 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -127.75 113.78 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.5 -118.56 0.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -124.34 163.89 20.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.885 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -125.47 86.05 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -132.35 171.28 13.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.685 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.6 p80 -53.85 -16.94 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.685 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 56.4 m-70 -96.1 -40.85 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.822 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -83.69 -18.25 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.0 -34.97 64.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -45.04 -50.03 11.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.02 -44.11 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.081 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.04 -29.77 60.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -50.53 -46.44 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.233 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.545 ' O ' ' CG2' ' A' ' 34' ' ' THR . 13.2 pt20 -71.5 -35.04 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HB3' HD13 ' A' ' 29' ' ' LEU . 11.5 tptt -72.24 -11.75 60.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.081 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.0 t -86.16 -52.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -47.47 -37.25 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.1 pp0? -56.73 -36.91 70.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -78.43 -30.14 47.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -45.18 -36.84 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 24.0 mt-10 -162.74 75.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.19 -49.37 44.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.7 m-20 161.44 -90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 23.5 t70 -77.06 -114.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.8 mm -150.11 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' SER . 2.0 mpt_? -80.56 -165.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.895 ' CE1' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -134.43 159.0 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.27 160.0 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.886 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.68 81.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.387 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.733 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -80.68 153.13 28.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 81' ' ' ALA . 3.4 t30 -179.91 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.904 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.72 120.06 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -22.3 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 17.1 t70 -117.72 64.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.881 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.32 114.67 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.1 t -125.75 -93.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.925 ' O ' ' HE3' ' A' ' 55' ' ' MET . 58.0 t80 -47.74 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 1.019 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.59 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.944 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -116.27 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 15.3 p -91.09 28.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.466 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.9 m -98.6 -23.39 15.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -128.15 -2.05 6.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -51.33 -48.72 62.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.16 -42.21 81.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.536 HG12 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -56.65 -21.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.793 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.728 HG23 HH22 ' A' ' 66' ' ' ARG . 6.1 mm -78.44 -35.53 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.856 HD21 HD23 ' A' ' 95' ' ' LEU . 1.1 tp -76.48 -15.83 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.44 -26.72 56.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.728 HH22 HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -80.86 -32.84 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.217 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 4.6 t80 -62.83 -46.89 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -81.39 0.88 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.768 ' HG2' HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.727 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -154.21 153.26 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.7 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 6.7 tpt -113.34 128.74 56.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.923 HG11 ' HA ' ' A' ' 110' ' ' LEU . 44.4 t -128.09 149.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 2.2 t -151.86 139.6 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.2 p -146.63 -168.87 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.904 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 81.07 23.61 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.702 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 2.5 tp -70.03 -167.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.647 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -163.03 174.06 3.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.2 Cg_endo -75.0 -10.74 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.438 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -127.5 22.26 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.019 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.5 t -136.03 -35.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 17.9 ttpt -71.87 -14.61 62.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.39 -26.28 67.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' SD ' ' A' ' 55' ' ' MET . 3.8 mt -59.58 -45.96 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.692 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 32.8 m-85 -87.23 -27.09 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.97 -33.7 74.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.085 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.1 ttm -82.56 -35.54 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -54.79 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.01 65.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.856 HD23 HD21 ' A' ' 64' ' ' LEU . 6.9 tp -84.59 12.48 6.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 0.756 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CE1' ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -56.37 -22.55 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -63.47 -26.65 68.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.798 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -99.26 11.72 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.658 HD11 HD12 ' A' ' 64' ' ' LEU . 7.4 mm -124.93 -18.71 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.491 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER 31.24 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.702 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -111.26 171.64 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.69 -147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.892 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.6 mt-30 -149.08 88.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.826 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.2 t 48.2 -62.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.892 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.1 tt0 -33.82 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 108' ' ' ALA . 9.3 tt0 -68.42 -5.66 20.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 104' ' ' SER . 28.7 tt0 -32.61 -31.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.94 -51.63 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.658 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.13 -18.7 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.923 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -56.45 -37.5 70.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.881 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.2 -5.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.895 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.6 tt 98.16 26.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.658 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 42.42 26.63 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.738 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 38.3 t -142.39 68.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.881 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.823 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -86.0 -157.83 29.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.728 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.95 133.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -149.15 141.63 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.693 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -136.46 138.62 41.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.772 ' HB3' ' HZ3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -143.44 142.2 31.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -111.4 136.61 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.772 ' HZ3' ' HB3' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -139.87 104.09 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.588 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.5 tt0 64.03 -29.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 163.95 -3.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.4 p -88.25 119.37 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.6 97.73 10.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.743 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -69.86 139.6 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.35 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -129.02 102.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -102.22 99.64 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 2' ' ' LEU . 6.2 mt -100.04 131.21 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.823 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -128.05 115.46 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.383 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.713 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.65 -119.59 0.92 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.73 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -123.04 157.91 31.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -160.57 170.87 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -44.03 -26.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.534 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ASP . 9.5 m80 -75.11 -55.36 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.61 -29.01 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -69.11 -14.77 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -76.2 -49.99 15.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.2 m -48.63 -44.48 37.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 110.491 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.057 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.5 tm? -71.45 -25.66 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.94 -44.1 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER -76.11 -33.85 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 29' ' ' LEU . 2.6 tptt -69.98 -8.15 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 29' ' ' LEU . 81.0 t -85.62 -51.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.626 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.49 -40.08 65.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 2.8 pp0? -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.432 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.69 -24.27 45.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.955 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -50.49 -36.08 32.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.388 1.055 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 40.1 mt-10 -161.66 73.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.79 -45.55 61.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.6 m-20 177.25 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.75 -143.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -109.99 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.595 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.49 -166.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.785 ' ND1' HD13 ' A' ' 112' ' ' LEU . 26.6 m-70 -133.17 156.82 46.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 0.0 109.67 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.157 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.24 155.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.894 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.94 85.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -82.69 152.74 25.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' CG ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -175.12 107.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -105.67 123.02 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -21.96 17.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 44.1 t0 -120.86 66.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.829 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.42 104.66 16.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.9 t -124.3 -87.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -46.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.878 ' SD ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER 35.43 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.806 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 2.6 t70 -94.08 -154.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 p -92.76 17.91 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.572 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -81.63 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -72.96 -16.98 78.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.77 -44.12 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.44 -32.45 34.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -66.29 -24.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -89.28 -35.62 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.905 HD21 HD23 ' A' ' 95' ' ' LEU . 2.4 tp -67.27 -43.2 82.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -56.46 -21.16 33.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.709 ' CG ' HG13 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -90.66 -47.36 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 0.795 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HD12 ' A' ' 98' ' ' ILE . 3.1 t80 -40.92 -26.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' A' ' 98' ' ' ILE . 6.7 mmmt -108.96 -25.45 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.571 ' HG2' HD11 ' A' ' 37' ' ' LEU . 3.0 tp-100 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.852 ' O ' HD12 ' A' ' 45' ' ' ILE . 2.3 mm-40 -151.99 151.43 31.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 0.712 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.897 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.58 120.34 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.053 HG11 ' HA ' ' A' ' 110' ' ' LEU . 57.7 t -128.3 149.06 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.103 HG21 ' CE2' ' A' ' 101' ' ' PHE . 2.2 p -145.36 138.33 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 27.6 p -128.3 -174.15 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 67.6 80.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.789 HD13 ' CD1' ' A' ' 101' ' ' PHE . 5.9 tp -112.66 169.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 162.86 25.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -0.98 10.62 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.25 33.89 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.829 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.45 -36.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -78.74 -4.68 50.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.596 ' NE ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -79.06 -17.57 55.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.878 HD13 ' SD ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -69.7 -45.58 67.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CE2' HD21 ' A' ' 60' ' ' LEU . 26.6 m-85 -82.81 -22.67 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -66.4 -34.89 78.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.2 ttp -82.63 -31.94 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -67.53 -56.36 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.68 54.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.905 HD23 HD21 ' A' ' 64' ' ' LEU . 7.5 tp -88.91 12.84 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 0.733 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -54.39 -24.24 18.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -26.73 68.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.872 HD13 ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -99.48 12.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 100' ' ' ARG . 9.2 mm -125.15 -23.95 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.593 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 21.86 83.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 1.103 ' CE2' HG21 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.08 -177.34 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.616 ' O ' ' CD ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER 72.39 134.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.616 ' CD ' ' O ' ' A' ' 102' ' ' GLU . 13.6 mm-40 -161.23 -52.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t 50.16 -85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 103' ' ' GLN . 12.8 tt0 -74.47 -25.42 59.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' ALA . 8.2 tt0 -74.08 -6.24 46.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLN . 11.0 pt20 -35.44 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.25 -57.5 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -59.15 -15.35 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 1.19 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.053 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -63.6 -26.43 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.822 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -56.79 -5.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.426 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.03 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.2 tt 98.98 26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.554 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 45.57 29.76 2.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.775 HG11 ' NE2' ' A' ' 44' ' ' HIS . 20.9 t -126.88 67.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.01 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.891 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -118.16 -173.42 16.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -177.29 131.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -142.58 141.56 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.697 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.3 mtt -133.75 134.21 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.43 161.93 35.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -128.58 135.83 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -138.28 105.47 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.4 tt0 63.19 -28.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 163.36 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.942 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -88.0 126.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.3 100.66 12.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.893 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.82 139.82 47.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.921 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.5 mp -130.58 97.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -95.77 102.51 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.209 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -100.77 130.41 46.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.891 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -130.12 112.56 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.779 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 152.59 -114.0 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.32 159.14 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.28 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -122.09 82.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.646 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -136.27 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.761 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -51.49 -18.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.65 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.761 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.7 m-70 -87.06 -46.17 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.01 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.7 p -79.56 -34.45 40.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -58.52 -26.57 63.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.81 -52.75 38.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -45.5 -42.83 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.41 -30.11 64.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.94 -46.64 68.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 34' ' ' THR . 16.6 pt20 -73.21 -34.24 65.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.261 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.921 ' HE2' HD11 ' A' ' 15' ' ' ILE . 23.1 tptt -67.99 -9.56 46.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.9 t -83.63 -51.0 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -55.2 -41.94 72.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -59.64 -43.67 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.08 -23.13 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.45 -32.27 26.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -160.61 74.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' CE ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.8 -41.31 68.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 2.6 m-20 156.24 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 16.6 t70 -83.72 -107.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.562 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 1.1 mm -147.01 125.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -116.3 -167.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.731 ' N ' ' O ' ' A' ' 11' ' ' SER . 32.4 m-70 -133.83 159.76 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.194 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -99.3 155.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.942 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.66 84.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' H ' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.79 153.5 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 1.7 p30 -179.4 102.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -103.21 126.15 50.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.76 -22.71 15.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.244 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 62.8 t0 -122.4 66.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -95.78 111.22 23.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.464 ' O ' ' HE2' ' A' ' 55' ' ' MET . 15.4 t -125.2 -93.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.868 ' O ' ' HE3' ' A' ' 55' ' ' MET . 48.4 t80 -41.4 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.991 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 34.3 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.5 t70 -109.92 -152.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 22.9 p -95.17 29.55 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.573 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -92.1 -50.5 5.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.402 1.064 . . . . 0.0 109.984 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.65 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -98.46 -9.44 53.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -50.64 -44.27 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.22 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.05 -35.05 45.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -62.29 -23.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -89.09 -34.58 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.883 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -67.21 -45.25 77.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.04 -21.69 39.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.982 ' CD ' HG22 ' A' ' 33' ' ' VAL . 1.6 ttp85 -88.91 -50.2 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 0.781 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.739 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -39.33 -32.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HE2' HD11 ' A' ' 98' ' ' ILE . 1.6 mmtt -87.31 -40.43 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 66' ' ' ARG . 23.6 tp60 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 45' ' ' ILE . 16.6 mm-40 -125.65 151.41 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -106.16 126.48 52.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.912 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -126.8 157.57 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.665 HG13 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -174.23 119.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.947 ' SG ' HD11 ' A' ' 110' ' ' LEU . 30.0 p -119.95 -166.69 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 69.91 51.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 87' ' ' LYS . 5.4 tp -79.68 169.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.91 154.06 25.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.98 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.31 27.27 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.991 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.0 t -141.29 -35.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 82' ' ' ILE . 4.4 pttt -70.99 -12.79 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.38 -24.07 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.65 HD12 ' SD ' ' A' ' 55' ' ' MET . 1.2 mt -65.76 -45.42 82.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.76 ' CE1' HD21 ' A' ' 60' ' ' LEU . 46.2 m-85 -85.4 -19.79 30.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -75.21 -34.52 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -36.49 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -66.04 -25.38 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.79 5.86 40.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.595 1.184 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.6 tp -103.83 10.85 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -46.66 -33.15 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.28 -22.49 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.883 ' CG2' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.99 -7.83 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.863 HD11 HD12 ' A' ' 64' ' ' LEU . 31.1 mm -114.91 -16.77 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.35 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.665 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -103.42 168.88 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.588 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -134.81 -145.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.933 ' O ' ' N ' ' A' ' 105' ' ' GLU . 78.8 mt-30 -148.2 86.61 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.8 t 46.6 -63.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -33.59 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.588 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -61.57 -11.93 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.4 pt20 -33.43 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.88 -53.23 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -59.45 -23.29 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.947 HD11 ' SG ' ' A' ' 80' ' ' CYS . 18.4 mt -44.23 -44.7 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.972 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.45 -10.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.408 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.11 23.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.855 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.17 52.76 6.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.046 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 112' ' ' LEU . 0.9 OUTLIER 173.85 88.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.752 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.69 HD11 HD23 ' A' ' 17' ' ' LEU . 2.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -98.91 -163.47 29.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.49 138.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -150.95 142.01 23.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 41.0 mtp -129.54 134.87 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -141.06 141.63 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -112.63 138.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.722 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -142.76 104.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.599 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.47 -25.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.52 -5.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.037 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.855 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -85.34 123.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 98.21 10.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -73.71 129.8 38.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -119.01 95.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -101.25 106.19 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.98 136.61 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -122.01 118.81 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 164.86 -127.12 1.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -121.08 155.29 34.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 0.724 . . . . 0.0 110.239 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 HD13 ' A' ' 49' ' ' LEU . 13.1 mt -111.96 90.32 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -144.1 166.9 23.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.472 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.8 p80 -43.02 -28.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -74.11 -52.92 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.66 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.616 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.75 -29.19 40.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.11 -19.0 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -71.1 -46.83 61.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 79.6 m -49.4 -54.41 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.917 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -65.0 -15.96 62.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 0.6 OUTLIER -68.34 -40.82 81.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.917 ' CG ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.8 -11.92 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 29' ' ' LEU . 17.2 t -72.39 -57.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.35 -39.64 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.5 mt-30 -63.84 -46.12 86.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.76 ' HB2' HH21 ' A' ' 66' ' ' ARG . 0.2 OUTLIER -75.78 -24.11 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.76 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -53.17 -33.27 51.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -163.81 73.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.226 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -73.16 -47.71 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.3 m-20 172.49 -94.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -81.81 -143.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.686 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -114.87 92.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.9 mpt_? -86.11 -166.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 34.3 m-70 -130.66 158.11 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.202 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.22 156.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.219 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.855 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -160.42 84.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.745 ' O ' HD11 ' A' ' 110' ' ' LEU . 18.6 mt -85.89 154.84 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.526 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -175.7 110.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.48 121.81 39.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -22.56 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 21.8 t70 -123.76 66.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.935 HD22 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -91.2 109.04 20.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 t -128.5 -88.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.07 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.864 ' O ' ' HE3' ' A' ' 55' ' ' MET . 68.7 t80 -46.64 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.965 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.82 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.185 . . . . 0.0 111.007 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.622 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.3 t70 -103.79 -148.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -95.08 24.05 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.472 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -88.25 -59.02 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.65 -16.8 69.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.09 -44.29 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.41 -33.01 32.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -66.15 -24.05 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.94 -35.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -59.78 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -60.41 -36.0 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.76 HH21 ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -69.2 -40.37 78.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 0.788 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.4 t80 -48.37 -40.99 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.059 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -87.26 -28.0 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.611 ' HG2' HD11 ' A' ' 37' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.917 ' O ' HD12 ' A' ' 45' ' ' ILE . 4.7 mm-40 -143.95 147.1 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.747 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.58 124.95 53.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.886 ' N ' HD11 ' A' ' 45' ' ' ILE . 16.9 t -133.31 154.66 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.5 p -154.31 131.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.893 ' SG ' HD22 ' A' ' 110' ' ' LEU . 19.2 p -133.35 -171.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.39 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.94 44.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 4.2 tp -80.66 -145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 176.18 162.7 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.6 20.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.13 19.49 6.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.965 HG22 ' CE ' ' A' ' 55' ' ' MET . 2.8 t -130.44 -36.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.525 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.27 -11.78 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.33 -27.28 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' C ' ' A' ' 56' ' ' ASP . 1.4 mt -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 25.1 m-85 -86.52 -23.85 25.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.51 -34.44 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 56.5 mtp -85.24 -32.9 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -29.54 68.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.04 15.34 74.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.539 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 tp -115.85 10.56 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.65 -35.83 14.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -60.69 -23.22 64.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.772 ' CG2' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.59 -8.79 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 64' ' ' LEU . 25.6 mm -118.98 -14.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.537 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER 33.22 89.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.597 1.186 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.83 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -106.75 176.53 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.629 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -147.5 -147.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 95.7 mt-30 -153.28 93.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.792 ' O ' ' N ' ' A' ' 107' ' ' GLN . 16.9 t 49.16 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.962 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -34.6 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.629 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 7.3 tt0 -66.39 -10.43 43.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -34.56 -30.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.5 -53.96 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.6 OUTLIER -63.09 -19.16 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.893 HD22 ' SG ' ' A' ' 80' ' ' CYS . 65.0 tp -59.04 -38.81 80.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.985 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.8 -7.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.994 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.52 23.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.072 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.938 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.23 49.28 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.994 ' O ' HD11 ' A' ' 112' ' ' LEU . 1.1 t 177.71 85.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.897 HD12 ' HB ' ' A' ' 25' ' ' THR . 7.7 tt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.856 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -123.93 -151.62 8.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 174.98 142.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.518 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -151.12 142.4 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.717 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -135.24 133.39 38.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.698 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.49 149.97 47.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.552 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -116.49 137.55 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.716 ' C ' ' H ' ' A' ' 11' ' ' SER . 2.3 mtmt -143.11 105.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.1 tt0 63.29 -28.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 160.42 1.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 46' ' ' VAL . 8.7 p -96.0 120.21 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.14 101.35 13.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.717 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -72.86 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.4 mp -114.89 94.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -92.61 97.55 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.7 133.53 35.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.33 113.8 16.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 160.53 -121.94 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.402 1.064 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.75 163.67 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 0.723 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.761 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -117.84 81.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 1.035 ' OD1' HG23 ' A' ' 25' ' ' THR . 14.6 p30 -142.13 172.45 12.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.801 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -48.89 -25.08 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.609 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.801 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.0 m-70 -77.7 -48.4 16.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.035 HG23 ' OD1' ' A' ' 22' ' ' ASP . 12.1 p -77.59 -36.62 51.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -57.2 -21.54 34.24 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -54.66 -50.22 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -44.59 -45.05 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 63' ' ' ILE . 4.2 tp -72.4 -28.51 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.29 -44.71 61.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 34' ' ' THR . 15.1 pt20 -74.57 -36.54 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.7 tptt -52.78 -19.43 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 58.5 t -59.48 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -55.66 -40.63 72.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' C ' ' A' ' 31' ' ' GLN . 13.5 mt-30 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -26.03 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -48.53 -36.27 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 46.5 mm-40 -160.28 78.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -67.59 -51.49 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 153.43 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.6 -144.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -130.09 77.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.714 ' CB ' ' O ' ' A' ' 11' ' ' SER . 9.6 mtm-85 -81.17 -162.86 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 1.048 ' CD2' HD22 ' A' ' 112' ' ' LEU . 66.0 m-70 -127.97 161.77 28.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.25 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.07 155.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.4 t -160.33 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -81.93 153.59 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.41 107.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.925 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.84 121.17 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -21.88 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.755 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -104.24 68.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.1 tm? -94.93 124.77 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.62 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.0 t -135.02 -89.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 57.3 t80 -58.24 -67.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.86 93.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.653 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.0 t70 -120.41 -153.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 13.2 p -99.73 33.2 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -90.83 -48.84 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.937 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.44 -3.66 59.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.02 -44.03 51.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.36 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.79 -32.63 40.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.776 HG22 ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -64.5 -24.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.4 0.706 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.8 -35.01 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.227 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -64.64 -45.89 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -70.1 -23.63 77.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.776 ' NH1' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.74 -28.25 23.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 4.0 t80 -56.38 -49.75 73.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -74.04 -35.1 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.222 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 45' ' ' ILE . 8.0 mm-40 -138.45 147.43 43.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.766 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.38 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 111.041 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.841 ' H ' HD11 ' A' ' 45' ' ' ILE . 13.8 t -130.28 156.4 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.7 t -149.12 136.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 110' ' ' LEU . 30.0 p -137.51 -171.58 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.263 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.46 32.6 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -70.49 -158.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.552 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -174.36 163.39 2.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' CZ ' ' A' ' 88' ' ' ARG . . . -137.37 26.8 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 6.5 t -136.17 -37.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.5 OUTLIER -71.23 -10.9 60.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.27 -23.33 64.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.6 mt -67.69 -46.29 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 60' ' ' LEU . 14.3 m-85 -86.46 -18.48 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.41 -34.24 70.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.395 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 27.6 ttp -86.6 -34.29 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.9 t -66.54 -44.65 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.76 -11.68 65.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.596 1.185 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -85.04 9.31 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.586 0.815 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.708 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.93 -33.57 7.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.95 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.45 -23.09 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.744 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.62 -9.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.719 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 17.4 mm -118.7 -13.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 32.41 90.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -117.29 166.57 12.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.656 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -144.27 -146.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.863 ' O ' ' N ' ' A' ' 105' ' ' GLU . 67.0 mt-30 -144.49 90.52 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.0 t 50.44 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 110.054 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.863 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -34.82 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.656 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 4.2 tt0 -67.69 -9.38 43.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.2 pt20 -36.03 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.02 -51.82 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.657 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -63.2 -24.14 67.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 47' ' ' LEU . 36.4 tp -54.02 -42.92 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.989 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -61.29 0.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.048 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.17 18.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.657 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 49.1 20.19 1.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.49 77.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 0.766 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.989 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.906 HD11 HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.72 -156.03 30.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.64 136.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -144.77 155.06 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.9 mtm -147.44 139.45 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -146.88 155.2 42.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -119.12 150.47 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -158.65 105.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.669 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 64.86 -28.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 158.07 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.2 p -89.33 120.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.01 98.77 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.937 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -71.0 144.34 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -136.0 103.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -99.28 95.93 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.906 HD23 HD11 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -92.53 132.18 37.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.54 115.99 18.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.44 -120.48 1.03 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.647 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -122.19 160.62 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -119.59 82.51 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.696 ' CG ' ' CE2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.92 166.51 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.776 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -44.22 -23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.776 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.8 m-70 -79.33 -51.58 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.775 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.9 p -80.68 -28.55 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -67.53 -28.26 67.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.66 -49.66 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -46.13 -43.18 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.06 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.1 -44.76 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -74.6 -34.67 62.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.45 -8.39 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 29' ' ' LEU . 82.2 t -83.96 -50.55 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -56.26 -41.23 75.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.7 pp0? -59.56 -42.56 92.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -77.62 -24.38 49.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.824 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.07 -33.58 26.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -163.4 72.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.9 -46.05 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 163.39 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.09 -135.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.754 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.1 mm -136.23 83.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.659 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.7 mtm-85 -81.5 -165.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.723 ' CE1' HD23 ' A' ' 112' ' ' LEU . 54.2 m-70 -128.13 161.73 28.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.55 156.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -157.2 82.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.2 mm? -87.11 151.54 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.781 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 179.95 107.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -99.31 119.91 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -21.57 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 23.8 t70 -119.43 66.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -94.83 105.42 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 t -123.19 -88.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.878 ' O ' ' HE3' ' A' ' 55' ' ' MET . 69.5 t80 -46.52 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.878 ' HE3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 37.8 84.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.605 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.3 t0 -97.88 -150.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.4 p -87.8 13.28 10.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -81.74 -59.4 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -84.37 -17.3 64.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD11 ' HA3' ' A' ' 94' ' ' GLY . 0.3 OUTLIER -49.73 -45.04 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.64 -32.37 37.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -63.75 -24.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 HG12 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -87.56 -34.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.925 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -68.84 -38.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.18 -20.45 58.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.77 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -83.8 -44.19 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.28 -46.69 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -7.89 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.824 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 45' ' ' ILE . 8.4 mm-40 -138.48 146.97 42.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.667 ' SD ' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -103.84 125.59 50.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG11 ' CA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -123.06 158.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.04 HG22 ' CE2' ' A' ' 101' ' ' PHE . 13.3 p -174.82 117.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 110' ' ' LEU . 10.8 p -136.81 -171.11 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.58 89.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 -156.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.574 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -152.32 167.1 13.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.563 1.823 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.06 22.46 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.797 HG13 ' SD ' ' A' ' 55' ' ' MET . 2.4 t -139.94 -34.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -78.84 -9.83 59.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.37 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.885 HD23 ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -63.32 -38.74 92.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.616 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 58.5 m-85 -78.34 -31.93 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -32.66 73.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 tpt -130.24 -58.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.885 ' CB ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.9 -12.18 16.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . -136.64 -176.36 14.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.002 ' O ' ' N ' ' A' ' 98' ' ' ILE . 11.9 tp -102.94 35.68 2.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 0.779 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.648 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -11.08 -46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.876 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.73 -25.95 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.002 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.17 -2.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.665 ' CG2' HG11 ' A' ' 79' ' ' VAL . 14.6 mm -114.95 -15.29 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 96' ' ' PHE . 4.4 mmt85 32.16 77.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 1.04 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.6 t80 -100.04 166.55 10.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.072 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.578 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -144.16 -148.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.831 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.9 mt-30 -149.7 96.22 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.7 t 53.59 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.831 ' N ' ' O ' ' A' ' 103' ' ' GLN . 7.0 tt0 -38.67 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -76.34 -21.83 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.9 pt20 -31.26 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.32 -63.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.652 HD23 ' HA2' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -61.8 -13.87 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -61.43 -37.3 83.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 1.011 HG22 ' HB3' ' A' ' 115' ' ' ALA . 94.8 m -58.39 -3.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.078 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 103.52 18.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.652 ' HA2' HD23 ' A' ' 109' ' ' LEU . . . 106.43 61.16 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.4 OUTLIER 55.35 109.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 1.011 ' HB3' HG22 ' A' ' 111' ' ' THR . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.857 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 1.9 tp -179.05 138.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.797 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -102.81 -160.19 25.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.09 133.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.406 0.709 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -144.23 144.24 31.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.694 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.2 mtp -138.81 135.33 34.5 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.655 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t-20 -143.11 145.29 32.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -115.36 133.91 60.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.778 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -137.86 105.9 5.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 64.5 -26.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.699 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 159.74 -6.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.951 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.869 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.1 p -85.7 120.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.659 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.97 98.32 10.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -73.78 133.61 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.43 97.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -93.08 101.12 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 4' ' ' ILE . 6.3 mt -98.18 133.3 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.797 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -133.5 114.06 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.857 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.95 -118.44 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.1 mt-10 -120.77 158.73 26.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -121.59 83.16 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.593 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.02 168.66 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.738 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -45.75 -22.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.619 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.738 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.3 m-70 -80.14 -49.82 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.75 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.5 p -80.72 -31.75 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -65.36 -16.03 63.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -66.27 -48.4 70.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.82 -45.75 15.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -69.87 -27.5 64.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.47 -43.87 11.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.49 -35.76 75.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 29' ' ' LEU . 11.6 tttp -61.55 -15.5 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.05 HG13 ' NH1' ' A' ' 66' ' ' ARG . 39.4 t -64.57 -57.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.93 -39.17 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 110.415 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 12.8 mt-30 -63.51 -45.56 90.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.2 -27.02 53.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.2 mt -52.46 -40.63 62.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.8 mp0 -168.13 79.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -65.74 -48.55 71.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.5 m-20 176.43 -96.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 25.0 t70 -77.49 -109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.4 mm -149.15 83.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -81.73 -163.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.848 ' ND1' HD22 ' A' ' 112' ' ' LEU . 40.4 m-70 -134.27 157.21 46.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.747 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.62 160.11 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.869 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.75 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.854 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -81.96 151.35 27.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 178.66 108.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.938 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -98.9 123.22 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -21.85 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -119.06 64.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.813 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -90.83 109.09 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.3 t -125.76 -89.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.894 ' O ' ' HE3' ' A' ' 55' ' ' MET . 66.3 t80 -47.18 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.932 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.49 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.9 t70 -100.7 -147.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.1 t -96.11 24.01 6.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.6 OUTLIER -89.66 -55.61 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.06 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.85 -15.06 66.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.82 -43.56 48.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 0.807 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.86 -33.37 30.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.823 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.51 -28.44 44.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.21 -34.64 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.896 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.99 -33.66 76.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.467 ' C ' ' NH2' ' A' ' 66' ' ' ARG . . . -61.3 -30.34 73.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.097 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 1.05 ' NH1' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.57 -46.28 55.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.681 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.09 -45.24 42.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HE3' HD13 ' A' ' 98' ' ' ILE . 3.5 mmpt? -84.76 10.22 11.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -109.18 -47.6 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.93 ' O ' HG22 ' A' ' 73' ' ' ILE . 10.4 tp -75.07 -22.71 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 19.1 mttt -79.63 -47.25 15.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -69.35 -13.14 62.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.93 HG22 ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -80.44 -40.04 19.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.355 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.45 26.96 1.02 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -132.53 -134.61 3.55 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -154.56 152.37 29.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.722 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.02 125.1 53.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.895 HG12 HD12 ' A' ' 110' ' ' LEU . 86.7 t -126.18 156.14 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.98 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.7 p -158.17 135.68 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.687 ' HB3' HD13 ' A' ' 110' ' ' LEU . 3.4 p -138.89 -167.77 2.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 78.54 36.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.78 HG23 ' N ' ' A' ' 83' ' ' SER . 3.1 tp -75.58 -157.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.78 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -176.77 169.74 1.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -9.06 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.21 25.7 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.932 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.2 t -139.7 -36.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.513 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.08 -11.79 60.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.72 -24.36 64.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 89' ' ' LEU . 4.8 mt -63.85 -45.78 87.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 60' ' ' LEU . 18.3 m-85 -85.83 -22.86 27.4 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.36 -33.98 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.0 ttt -83.56 -36.42 24.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.68 -28.49 68.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.98 10.61 65.29 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.5 tp -106.65 9.08 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.586 0.815 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -49.11 -36.28 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -21.44 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.896 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.31 -12.7 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 29.7 mm -117.32 -11.79 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 1.1 ttp180 33.88 84.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.98 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -103.71 172.29 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.594 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -145.18 -143.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.867 ' O ' ' N ' ' A' ' 105' ' ' GLU . 85.3 mt-30 -154.35 93.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' ' 107' ' ' GLN . 12.9 t 50.79 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -35.83 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.612 ' OE1' HG13 ' A' ' 78' ' ' VAL . 4.6 tt0 -68.76 -13.92 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.809 ' N ' ' O ' ' A' ' 104' ' ' SER . 11.3 pt20 -33.41 -31.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.61 -53.52 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -63.97 -19.36 65.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.895 HD12 HG12 ' A' ' 78' ' ' VAL . 13.1 tp -57.64 -35.71 70.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.912 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.92 -5.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.361 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.848 HD22 ' ND1' ' A' ' 44' ' ' HIS . 2.3 tt 96.65 26.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.407 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.92 24.96 0.19 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.742 ' HB ' HD23 ' A' ' 112' ' ' LEU . 25.1 t -143.27 71.54 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.592 0.819 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.912 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.0 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 2' ' ' LEU . 9.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.869 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -121.54 143.4 49.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.215 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.887 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -85.8 -156.1 26.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.642 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.01 134.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 0.786 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.564 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -147.87 143.06 27.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 31.3 mtt -139.41 138.72 36.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.627 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -146.56 147.82 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -116.26 136.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.927 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.2 106.52 5.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.72 -27.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.717 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.15 -5.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.959 HG11 HG23 ' A' ' 111' ' ' THR . 9.6 p -86.1 124.49 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.59 96.97 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.852 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -72.12 136.01 46.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -128.34 102.71 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -98.54 102.31 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD22 HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -95.92 131.73 41.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.887 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.695 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 149.9 -119.63 1.05 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.626 1.204 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -121.65 156.53 32.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.869 HD21 ' HA3' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -117.92 89.56 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.635 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -141.49 171.34 14.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.765 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.1 p80 -46.5 -23.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.655 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.765 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.8 m-70 -79.19 -50.59 10.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.624 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.3 p -81.12 -30.0 34.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -61.31 -15.06 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.77 -51.93 65.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.09 -48.27 8.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.6 tp -71.8 -26.23 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.058 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.72 -44.17 81.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 16.9 pt20 -75.91 -19.73 58.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.376 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.764 ' HE3' HH21 ' A' ' 66' ' ' ARG . 51.0 tptt -73.67 -31.78 63.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 29' ' ' LEU . 3.0 t -62.08 -58.02 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.76 -31.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.798 HE21 HG23 ' A' ' 34' ' ' THR . 7.5 mm-40 -66.8 -39.32 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.596 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -76.95 -25.89 53.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -49.08 -35.02 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 7.8 mt-10 -168.44 75.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.47 -52.03 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 150.38 -84.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.8 t0 -78.2 -127.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.995 HD11 ' O ' ' A' ' 73' ' ' ILE . 6.2 mm -147.06 79.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.449 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.2 mpt_? -80.26 -164.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.813 ' CE1' HD23 ' A' ' 112' ' ' LEU . 33.3 m-70 -135.59 160.3 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.177 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.88 160.07 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -158.53 84.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.759 ' O ' HD11 ' A' ' 110' ' ' LEU . 31.2 mt -82.98 152.96 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -178.66 108.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.805 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -99.56 114.61 27.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -23.36 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 27.9 t70 -118.71 62.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.902 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -90.54 108.8 20.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -125.44 -89.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CD2' ' OD2' ' A' ' 22' ' ' ASP . 56.9 t80 -45.91 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 110.929 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.885 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.37 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.8 t0 -102.71 -151.49 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -96.13 30.51 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.48 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -94.78 -49.74 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.869 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -93.42 -9.95 59.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.427 1.079 . . . . 0.0 111.019 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.691 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -49.54 -43.33 45.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.45 -33.38 28.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.61 -24.75 36.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.634 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.81 -35.32 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -66.44 -43.0 86.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.408 ' O ' ' OE1' ' A' ' 69' ' ' GLN . . . -56.5 -24.04 44.98 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.764 HH21 ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.99 -40.13 28.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.753 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -56.31 -43.3 78.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -85.27 8.82 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.636 ' CG ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -104.71 -47.2 4.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.879 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.8 tp -69.7 -34.48 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' NZ ' ' NH2' ' A' ' 100' ' ' ARG . 6.1 mttt -76.07 -21.65 56.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' OE1' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.05 -28.74 60.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.995 ' O ' HD11 ' A' ' 42' ' ' ILE . 1.8 mt -81.21 -32.16 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.44 25.45 1.98 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.507 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -117.0 -143.99 7.74 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.76 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -150.75 145.49 25.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 0.716 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.721 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -112.53 124.64 52.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.921 ' H ' HD11 ' A' ' 45' ' ' ILE . 46.0 t -128.23 155.72 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.926 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.7 p -153.58 131.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 8.2 p -139.05 -167.84 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 79.58 21.5 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 1.2 tp -66.57 -154.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.29 175.3 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -75.01 -7.28 19.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.79 33.69 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.902 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.48 -36.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.568 ' CB ' HG12 ' A' ' 82' ' ' ILE . 3.1 pttt -76.1 -6.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.55 -16.55 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.1 mt -70.92 -45.13 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.64 -21.28 28.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -70.49 -34.15 72.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 12.6 ttt -80.4 -35.18 35.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -55.56 12.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.928 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.23 -10.79 54.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.536 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -86.3 8.92 19.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.92 -34.47 12.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -62.8 -21.51 65.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.863 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.78 -12.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.632 ' CG2' HG11 ' A' ' 79' ' ' VAL . 32.6 mm -116.84 -13.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 96' ' ' PHE . 55.7 mtt180 32.5 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.249 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.926 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -105.46 174.21 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.582 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -155.57 -145.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.819 ' O ' ' N ' ' A' ' 105' ' ' GLU . 81.5 mt-30 -155.64 97.98 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.784 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.5 t 53.22 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.819 ' N ' ' O ' ' A' ' 103' ' ' GLN . 43.8 tt0 -38.29 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -71.82 -13.43 61.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.9 pt20 -35.26 -30.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.34 -53.44 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CA ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -65.82 -17.17 64.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.623 1.202 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.783 HD12 HG12 ' A' ' 78' ' ' VAL . 12.6 tp -60.64 -41.34 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.959 HG23 HG11 ' A' ' 12' ' ' VAL . 3.8 m -59.18 -2.41 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.049 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 105.73 10.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 73.26 37.2 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.9 t -172.88 80.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.428 0.722 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 146.82 94.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -107.75 142.2 38.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.15 -167.89 37.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 177.69 136.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.66 ' N ' ' O ' ' A' ' 16' ' ' ARG . 4.7 t0 -139.99 172.46 12.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.9 mtp -157.11 134.39 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.93 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -135.17 175.09 9.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.2 t -143.25 136.85 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.726 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.51 104.53 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' O ' ' OG ' ' A' ' 11' ' ' SER . 5.0 tt0 63.01 -27.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.726 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.09 -1.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.878 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.48 121.5 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.35 108.4 20.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.666 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -73.72 126.94 31.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.841 ' HB ' HD13 ' A' ' 47' ' ' LEU . 9.6 mm -108.79 92.08 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.66 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -94.53 110.75 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.721 ' CD1' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.91 138.98 53.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.733 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -126.41 114.94 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.59 -131.61 2.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.777 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -125.82 153.18 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.891 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -110.35 103.69 12.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.58 164.91 35.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.483 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.6 p80 -41.03 -27.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -75.9 -55.42 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.667 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -78.29 -11.29 59.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.851 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -77.77 -26.13 49.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.33 -46.64 87.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -46.28 -49.71 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.368 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -66.54 -27.18 67.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.05 -42.37 49.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -77.88 -31.2 51.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.544 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 16.6 tptt -66.03 -11.89 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.918 HG22 ' HG3' ' A' ' 66' ' ' ARG . 11.5 t -77.29 -55.34 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.67 -41.07 63.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.44 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.4 mt-30 -63.2 -47.96 80.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.575 ' OG ' ' CD1' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -75.76 -23.35 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.28 -32.25 24.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 35.3 mt-10 -160.74 75.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.32 -48.46 61.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.8 m-20 167.41 -93.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 28.2 t70 -79.93 -120.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.68 83.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.909 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.96 -166.77 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.909 ' O ' HD22 ' A' ' 13' ' ' LEU . 39.6 m-70 -128.22 155.09 45.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.899 HG21 ' CG1' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.27 159.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.878 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -158.21 85.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.841 HD13 ' HB ' ' A' ' 15' ' ' ILE . 2.4 mm? -82.18 153.67 25.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 48' ' ' ASN . 3.4 t30 -178.28 109.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -110.01 127.59 54.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.72 -20.41 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 35.6 t0 -104.19 66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -89.28 101.84 14.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 t -112.63 -86.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 71.4 t80 -73.47 -67.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.891 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 34.93 82.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 8.9 t0 -104.76 -153.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.634 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -97.78 -3.77 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.504 ' HB2' ' HA ' ' A' ' 22' ' ' ASP . 4.3 m -59.48 -12.56 6.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.547 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -129.78 3.44 6.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -51.86 -55.37 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 0.72 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -39.31 59.13 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.851 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -60.97 -22.36 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.2 mt -100.23 -38.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.909 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -66.12 -46.08 78.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.89 66.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.918 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.66 -30.57 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.73 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -59.01 -35.97 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 6.7 mmmt -86.05 -26.84 25.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -91.13 -10.25 42.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.899 ' CG1' HG21 ' A' ' 45' ' ' ILE . 6.0 tp -98.58 -34.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -74.78 -23.61 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.608 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -72.03 -34.3 68.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 0.2 OUTLIER -129.32 28.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -141.21 9.36 2.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 76' ' ' GLU . . . 64.95 -58.79 0.08 OUTLIER Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 112' ' ' LEU . 4.6 mm-40 -148.46 149.5 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.623 ' HG2' HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.8 123.67 47.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 111.003 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.582 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.0 OUTLIER -114.38 155.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.778 HG22 ' CE2' ' A' ' 101' ' ' PHE . 7.2 p -164.06 122.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -122.71 -170.57 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.785 ' HB3' HD23 ' A' ' 49' ' ' LEU . . . 68.84 65.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.725 HD13 ' CD1' ' A' ' 101' ' ' PHE . 10.6 tp -90.75 164.92 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.79 158.52 56.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.931 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -14.15 21.38 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.799 . . . . 0.0 110.976 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . . . -122.12 30.51 6.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.573 ' CG2' ' HB3' ' A' ' 55' ' ' MET . 1.2 t -142.62 -39.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 109.238 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.13 -12.45 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -71.15 -24.69 62.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.241 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 57' ' ' SER . 5.0 mt -61.7 -41.93 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.709 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 30.9 m-85 -90.5 -24.05 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -75.26 -34.02 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.5 ttp -76.31 -42.01 46.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -55.21 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.95 9.27 40.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.724 HD23 HG21 ' A' ' 98' ' ' ILE . 1.7 tp -107.56 11.65 28.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -43.34 -29.78 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 111.071 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -21.86 64.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -82.44 -17.68 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.909 HD11 HD12 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -108.53 -15.96 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.549 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 29.42 85.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.778 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.1 t80 -107.31 170.59 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.62 -146.7 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.884 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.3 mt-30 -148.61 90.67 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.638 ' O ' ' N ' ' A' ' 107' ' ' GLN . 30.6 t 48.17 -64.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 103' ' ' GLN . 33.4 tt0 -34.22 -33.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.606 ' O ' ' N ' ' A' ' 110' ' ' LEU . 1.6 tt0 -57.13 -14.09 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -33.55 -32.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.199 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.39 -61.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.641 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -60.77 -20.84 62.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -53.6 -40.08 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.882 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.74 -2.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.407 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.882 ' HB3' ' O ' ' A' ' 111' ' ' THR . 2.3 tt 97.36 19.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.641 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 52.37 36.17 45.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.778 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 78.9 t -151.16 70.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 150.47 97.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.955 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.714 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -170.87 140.42 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.848 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.75 -161.67 31.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.684 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 179.5 133.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -146.35 144.08 29.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.667 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 50.9 mtp -135.82 135.2 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.803 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.8 164.79 28.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -129.4 143.74 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.23 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.15 103.78 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.617 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.2 tt0 63.7 -28.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.226 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.725 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.96 0.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.93 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.7 p -94.53 121.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -93.26 103.05 15.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.701 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.29 132.06 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 108.342 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -120.62 96.63 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -93.79 101.17 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.923 HD11 HD13 ' A' ' 29' ' ' LEU . 5.7 mt -96.2 131.95 42.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.848 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -126.69 114.83 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.469 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.714 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.35 -104.45 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.399 1.062 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HD13 ' A' ' 2' ' ' LEU . 2.4 mt-10 -146.72 156.61 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.914 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.5 OUTLIER -119.84 84.38 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -128.52 169.95 13.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.736 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -49.42 -17.25 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.657 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.736 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 72.5 m-70 -86.99 -49.89 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.639 ' HG1' ' HA ' ' A' ' 21' ' ' LEU . 1.5 p -79.62 -30.8 41.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -54.71 -36.52 64.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.74 -51.93 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.42 -48.74 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.375 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.6 tp -67.1 -27.41 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.61 -43.05 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.51 -29.14 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HZ3' ' CE ' ' A' ' 6' ' ' MET . 22.8 tptt -70.36 -10.44 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.3 t -85.64 -51.66 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.05 -38.24 50.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.5 pp0? -57.84 -37.76 74.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.25 -27.24 42.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' HG ' ' CG ' ' A' ' 69' ' ' GLN . 1.1 mt -48.57 -40.73 28.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -163.89 74.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.75 -46.18 59.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.07 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.7 m-20 166.67 -91.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.37 -141.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.853 HD11 HG22 ' A' ' 73' ' ' ILE . 1.3 mm -122.67 80.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.945 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -81.88 -168.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.941 ' O ' HD22 ' A' ' 13' ' ' LEU . 44.8 m-70 -131.27 157.61 42.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.629 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.807 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -104.69 157.81 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.93 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -155.87 85.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' HD11 ' A' ' 110' ' ' LEU . 3.8 mm? -83.76 152.1 24.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -179.79 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.226 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.8 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -100.1 117.65 34.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -24.22 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.502 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 48.2 t0 -113.59 61.61 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -81.87 98.71 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -103.46 -80.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 66.7 t80 -80.32 -69.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.914 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 37.44 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 10.5 t0 -106.52 -146.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -98.35 -2.01 40.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -56.03 -38.91 71.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.688 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -108.85 9.2 34.28 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -51.59 -41.14 60.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 0.804 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.63 47.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.818 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -55.77 -26.38 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.488 HG13 HD23 ' A' ' 29' ' ' LEU . 1.2 mt -90.63 -34.73 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.039 HD12 HD11 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -69.53 -31.63 69.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -64.71 -27.43 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -77.5 -37.27 51.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 2.1 t80 -57.84 -46.08 85.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 8.0 mmmt -85.26 9.82 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.908 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -106.27 -28.36 10.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 77' ' ' MET . 10.3 tp -96.2 -35.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 12.7 mttm -76.02 -24.24 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.713 ' HG2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -73.58 -25.8 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.908 HD11 ' O ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.34 -38.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.24 29.78 0.7 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -120.41 -140.28 6.01 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -149.91 144.75 26.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.807 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 4.3 tpt -108.52 126.98 53.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.823 HG12 HD12 ' A' ' 110' ' ' LEU . 48.3 t -130.62 156.77 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.861 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.5 p -159.7 135.62 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 14.4 p -133.15 -169.91 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 108.256 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.54 48.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.822 HG23 ' N ' ' A' ' 83' ' ' SER . 6.7 tp -79.45 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.822 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER 179.67 163.83 0.81 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.91 20.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.35 27.25 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 1.3 t -140.28 -34.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 10.1 ttpp -69.67 -12.08 61.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -73.67 -20.3 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 56' ' ' ASP . 4.3 mt -66.91 -45.36 78.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.716 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 16.2 m-85 -85.37 -21.99 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.7 tpp -89.83 -30.9 17.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -66.41 -42.61 87.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.56 -7.84 71.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 64' ' ' LEU . 7.9 tp -87.71 12.48 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -55.93 -25.02 41.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -63.3 -27.9 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.803 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -97.75 11.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 1.039 HD11 HD12 ' A' ' 64' ' ' LEU . 19.8 mm -123.93 -19.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 27.52 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.861 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -113.52 169.18 9.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -150.34 -144.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.874 ' O ' ' N ' ' A' ' 105' ' ' GLU . 65.3 mt-30 -149.49 92.17 1.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 18.8 t 50.45 -63.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.874 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.7 tt0 -34.99 -31.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.59 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.2 tt0 -67.94 -7.56 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tt0 -35.31 -30.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.31 -50.16 6.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.69 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.64 -22.76 67.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 78' ' ' VAL . 11.3 tp -55.87 -36.89 68.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.931 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -57.0 -7.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.015 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.64 21.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 1.001 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 45.94 49.8 12.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.557 1.16 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.4 t 179.04 74.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.931 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 162.46 95.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.006 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER 154.78 140.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.82 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -112.17 -168.85 18.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 111.058 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -179.36 136.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -146.12 143.63 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.641 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 24.9 mtt -131.82 133.11 44.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.856 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.34 164.79 27.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.51 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -131.2 143.38 40.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.63 103.95 3.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 63.54 -28.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.2 -1.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.907 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.5 p -93.92 120.12 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.031 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.25 105.4 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.72 131.48 40.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -118.99 91.19 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.3 OUTLIER -93.46 108.59 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.72 136.33 52.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.82 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.5 p -127.51 114.33 17.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.728 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.62 -116.77 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' O ' ' CB ' ' A' ' 25' ' ' THR . 4.1 mt-10 -123.94 162.5 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 0.811 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -121.02 80.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.914 ' OD2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -140.4 172.76 12.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.82 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -44.89 -31.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.82 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 69.6 m-70 -72.94 -50.93 20.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.63 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.006 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.2 p -76.81 -31.73 57.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.702 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -60.97 -24.4 66.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -55.26 -55.32 32.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.73 -47.56 10.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.2 tp -70.92 -25.51 62.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -55.62 -44.16 76.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.821 ' O ' HG23 ' A' ' 34' ' ' THR . 17.9 pt20 -77.24 -19.34 56.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.53 ' HE2' HD11 ' A' ' 15' ' ' ILE . 17.2 tptt -74.58 -30.4 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.7 t -64.37 -57.56 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.34 -31.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.445 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.762 HE21 HG23 ' A' ' 34' ' ' THR . 6.4 mm-40 -66.24 -42.28 88.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.766 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -76.5 -26.61 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.071 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 37' ' ' LEU . 1.6 mt -45.04 -39.44 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -165.51 76.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -69.26 -50.73 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.9 m-20 162.31 -92.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -77.53 -114.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.037 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.3 mm -149.32 82.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.859 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.57 -167.37 1.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.925 ' O ' HD22 ' A' ' 13' ' ' LEU . 45.7 m-70 -133.41 155.63 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.635 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.725 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.44 160.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.907 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -157.83 84.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -84.75 154.29 22.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -179.33 109.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.921 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.4 123.05 48.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.13 -21.87 16.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 24.0 t0 -103.85 67.41 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -92.95 125.49 37.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.692 ' N ' HD13 ' A' ' 52' ' ' LEU . 7.6 t -136.28 -89.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 56.6 t80 -56.74 -67.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.998 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 38.36 94.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 3.1 t70 -118.4 -155.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.1 p -98.69 32.03 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.519 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -92.91 -40.69 10.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.569 1.168 . . . . 0.0 110.043 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -100.54 -3.7 55.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.94 -44.02 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.3 -32.78 41.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.81 -25.56 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 HG13 HD23 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -88.61 -34.74 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.931 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.93 -44.18 85.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.81 -23.16 43.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.737 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -82.8 -36.56 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 0.73 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.724 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 1.7 t80 -59.78 -46.08 90.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' CE ' HD11 ' A' ' 98' ' ' ILE . 10.3 mmmt -79.41 4.25 15.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.596 HE21 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.49 -49.25 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.775 ' HA ' HD12 ' A' ' 73' ' ' ILE . 8.4 tp -66.49 -38.09 80.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -77.13 -22.76 52.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -30.68 69.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.037 ' O ' HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -82.71 -22.56 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.39 22.67 4.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.441 1.088 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -111.34 -140.64 8.3 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.779 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -153.34 154.73 35.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 4.2 tpt -113.53 128.25 56.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 ' HA ' ' A' ' 110' ' ' LEU . 54.2 t -126.92 149.6 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.859 HG13 ' CD2' ' A' ' 101' ' ' PHE . 11.0 p -155.7 135.17 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.606 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 9.4 p -138.51 -167.41 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 108.246 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.921 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.49 27.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.828 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -66.86 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.177 . . . . 0.0 109.338 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.828 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER 177.3 170.92 0.41 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.098 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -3.79 14.44 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -131.67 24.86 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.998 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.2 t -136.22 -37.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 ptmt -73.54 -8.3 55.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.479 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -74.21 -24.66 59.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.95 -44.42 85.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.712 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 17.0 m-85 -86.11 -19.88 29.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -72.86 -34.08 66.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.72 -32.63 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 t -66.2 -29.37 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.13 74.85 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.537 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.6 tp -120.57 9.95 10.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.712 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.29 -34.96 16.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -61.73 -22.53 65.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.86 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.19 -9.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.931 HD11 HD22 ' A' ' 64' ' ' LEU . 40.5 mm -117.93 -13.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.377 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.53 87.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.859 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.34 173.03 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.614 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.02 -150.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.876 ' O ' ' N ' ' A' ' 105' ' ' GLU . 62.2 mt-30 -152.15 92.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.781 ' O ' ' N ' ' A' ' 107' ' ' GLN . 21.1 t 49.52 -63.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.876 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -34.93 -31.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.672 ' O ' ' N ' ' A' ' 110' ' ' LEU . 8.5 tt0 -65.23 -9.75 26.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.781 ' N ' ' O ' ' A' ' 104' ' ' SER . 32.6 tt0 -33.89 -31.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -89.38 -53.27 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -64.8 -16.73 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.909 ' HA ' HG11 ' A' ' 78' ' ' VAL . 4.7 tp -57.09 -38.03 72.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.937 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.53 -5.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.918 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.4 tt 98.43 27.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 40.78 26.59 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 114' ' ' VAL . 28.8 t -141.01 63.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.937 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.68 94.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.599 1.187 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -108.05 144.59 35.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.864 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -89.29 -154.1 28.64 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.28 133.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.69 141.92 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.653 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 58.6 mtt -136.28 134.61 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.636 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -138.83 162.13 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.631 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -129.1 142.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -148.03 104.93 3.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.1 tt0 62.57 -26.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.342 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.69 -5.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.891 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -84.63 126.35 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -99.01 100.01 11.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.808 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.41 133.75 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 108.354 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -125.15 96.72 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' NE ' ' OD1' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -92.46 105.04 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -97.94 129.56 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.373 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.864 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -127.47 114.48 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 153.07 -119.83 0.99 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.765 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -123.52 156.69 35.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.893 HD22 HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -115.44 97.48 6.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.49 168.79 24.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.755 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -44.63 -25.01 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.562 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.755 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 73.1 m-70 -76.2 -51.71 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -81.71 -29.84 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 110.426 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.972 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -62.99 -14.35 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.28 -50.95 68.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -44.23 -50.09 8.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.455 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 tp -69.64 -25.98 64.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.057 . . . . 0.0 109.213 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -54.84 -45.02 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' THR . 15.9 pt20 -76.2 -36.8 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.233 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 29' ' ' LEU . 34.4 tptt -60.16 -13.63 13.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.4 t -69.73 -56.44 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -55.64 -40.32 72.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.434 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.4 mt-30 -59.8 -43.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -24.11 53.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.735 HD22 ' CG ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -52.56 -34.51 50.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.15 77.07 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -69.13 -46.62 67.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.1 m-20 170.18 -94.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.83 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.634 HD13 ' CD1' ' A' ' 73' ' ' ILE . 1.7 mm -147.74 91.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.552 ' NE ' HD23 ' A' ' 13' ' ' LEU . 2.6 mtm-85 -90.11 -165.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.984 ' CG ' HD22 ' A' ' 112' ' ' LEU . 93.4 m-70 -134.66 158.36 44.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.796 HG13 HG21 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.93 158.88 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.7 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.776 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.2 mp -83.22 152.43 25.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.589 HD22 ' HB2' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -178.32 108.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.898 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.45 119.51 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -21.08 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.769 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 37.8 t0 -103.66 67.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -94.43 123.84 38.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.367 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.675 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -133.72 -88.43 0.4 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.423 1.077 . . . . 0.0 109.976 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -64.09 -61.87 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 1.03 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 41.6 97.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 6.6 t70 -112.03 171.85 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.6 t -68.81 -3.67 13.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 5.2 m -56.89 -44.41 82.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.31 -8.11 75.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.29 -43.25 53.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.48 -33.49 31.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.569 1.168 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.972 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.29 -24.94 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.763 . . . . 0.0 109.202 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -88.52 -35.02 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.94 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -63.35 -42.16 98.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -54.89 -33.8 56.86 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.36 -42.89 71.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.715 ' CG ' ' HG3' ' A' ' 77' ' ' MET . 2.4 t80 -53.66 -46.01 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' CD ' ' A' ' 72' ' ' GLN . 4.1 mmmm -89.8 24.56 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.735 ' CG ' HD22 ' A' ' 37' ' ' LEU . 1.9 mp0 -118.44 -39.91 2.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.796 HG21 HG13 ' A' ' 45' ' ' ILE . 4.9 tp -89.63 -27.75 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 4.4 mtpt -86.6 -40.69 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -71.81 -16.17 62.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.667 HG22 ' C ' ' A' ' 70' ' ' ILE . 0.1 OUTLIER -84.33 -37.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.29 38.71 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -135.42 -139.13 3.98 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.657 ' HG3' HD12 ' A' ' 112' ' ' LEU . 5.0 mm-40 -138.78 146.97 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.787 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -120.07 122.97 42.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.712 ' CG1' ' HA ' ' A' ' 110' ' ' LEU . 2.9 t -132.85 156.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.719 HG22 ' CE2' ' A' ' 101' ' ' PHE . 12.3 p -157.8 131.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 21.2 p -130.82 -171.34 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.93 74.24 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.774 HG23 ' N ' ' A' ' 83' ' ' SER . 2.4 tp -113.61 -144.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.774 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 174.19 166.46 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 0.96 8.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -134.02 23.09 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.03 HG22 ' SD ' ' A' ' 55' ' ' MET . 10.0 t -135.3 -36.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.547 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -73.68 -9.73 58.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -70.76 -26.08 63.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.14 -45.64 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.6 m-85 -85.56 -22.01 28.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.4 OUTLIER -71.39 -34.79 70.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.1 ttp -85.59 -31.8 22.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -66.29 -39.31 89.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.48 84.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.544 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.0 tp -111.85 9.56 20.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.714 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.97 -34.77 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.932 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -22.94 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -86.44 -8.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.94 HD11 HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -114.75 -14.93 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 99' ' ' ILE . 7.4 ttm180 30.68 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.719 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -114.11 171.96 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.608 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -152.21 -148.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.837 ' O ' ' N ' ' A' ' 105' ' ' GLU . 52.2 mt-30 -148.24 94.25 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.796 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.6 t 53.27 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.837 ' N ' ' O ' ' A' ' 103' ' ' GLN . 23.9 tt0 -39.0 -28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.5 tt0 -74.43 -18.12 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' ' O ' ' A' ' 104' ' ' SER . 2.2 tp60 -33.39 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -80.69 -57.1 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.492 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -59.92 -27.11 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 47' ' ' LEU . 15.4 tp -54.0 -40.17 66.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.988 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.9 OUTLIER -59.5 -2.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 111' ' ' THR . 0.1 OUTLIER 100.13 25.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.492 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 75.81 71.77 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.863 HG13 ' O ' ' A' ' 114' ' ' VAL . 0.5 OUTLIER 40.72 52.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HA ' HD21 ' A' ' 112' ' ' LEU . . . 33.88 39.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.724 ' O ' HG13 ' A' ' 114' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.51 ' O ' ' C ' ' A' ' 2' ' ' LEU . 50.6 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.048 HD12 ' HB ' ' A' ' 25' ' ' THR . 1.6 tt -32.28 137.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.767 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -114.25 -155.75 11.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.561 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 173.7 138.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -150.06 142.99 24.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.639 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.1 mtm -134.11 136.86 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.682 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -142.14 165.0 28.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -132.77 149.36 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.768 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -157.83 107.53 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.6 tt0 64.78 -28.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.702 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 158.63 -2.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.885 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.2 p -88.77 123.87 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD23 ' HE ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -96.83 102.44 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.227 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.809 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -74.13 134.95 42.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -124.98 96.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ASP . 1.3 mtt180 -96.41 106.88 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -110.63 134.35 52.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.767 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -126.27 112.75 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.741 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 166.03 -118.11 0.78 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.85 164.78 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.892 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.41 80.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.644 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -138.53 169.49 17.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.787 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -49.31 -20.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.787 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.0 m-70 -84.63 -45.79 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.048 ' HB ' HD12 ' A' ' 2' ' ' LEU . 2.4 p -80.35 -32.96 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -69.74 -20.91 63.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -65.94 -53.34 40.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 110.361 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -45.49 -48.85 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.7 tp -65.94 -28.65 69.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -45.95 -42.94 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.588 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.35 -30.54 63.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HZ2' HG12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -73.21 -14.44 61.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 29' ' ' LEU . 13.7 t -83.03 -53.7 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.588 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -45.27 -38.39 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.467 ' NE2' ' HG2' ' A' ' 32' ' ' LYS . 2.3 pt20 -58.6 -41.94 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' N ' ' CG ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -76.45 -26.32 55.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -49.36 -33.89 14.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.6 mt-10 -163.24 73.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.35 -46.91 59.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 11.1 m-20 164.71 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -77.59 -114.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.082 ' CD1' HG22 ' A' ' 73' ' ' ILE . 2.0 mm -147.42 85.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HE ' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -82.98 -165.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.702 ' N ' ' O ' ' A' ' 11' ' ' SER . 41.2 m-70 -131.68 158.99 39.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.643 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.688 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.33 158.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.63 88.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.465 1.103 . . . . 0.0 109.191 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.983 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -85.5 154.22 21.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.8 t30 -178.03 107.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.892 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -108.93 125.39 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.33 -22.17 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.623 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.8 t0 -105.1 67.84 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -95.51 126.23 40.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.621 ' N ' HD13 ' A' ' 52' ' ' LEU . 16.2 t -138.92 -87.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.715 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 68.1 t80 -54.81 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.16 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.715 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -116.78 -149.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.4 p -93.67 29.84 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.514 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -94.51 -59.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.17 -11.2 73.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.437 1.086 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.47 -42.63 54.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.65 -34.61 30.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.11 -24.24 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.829 HG13 HH21 ' A' ' 66' ' ' ARG . 0.8 OUTLIER -91.51 -38.73 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.955 ' HB2' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -71.81 -29.79 64.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.849 ' N ' HD13 ' A' ' 64' ' ' LEU . . . -70.77 -13.87 72.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.829 HH21 HG13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -85.21 -43.05 14.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.314 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.695 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.5 t80 -54.14 -47.06 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.47 1.23 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -103.75 -48.39 3.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.887 ' HA ' HD12 ' A' ' 73' ' ' ILE . 4.0 tp -67.46 -33.27 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 32.2 mttt -75.71 -22.72 56.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG2' HG13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -80.85 -23.77 38.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.082 HG22 ' CD1' ' A' ' 42' ' ' ILE . 6.5 mt -81.04 -40.29 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 126.1 34.91 0.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -129.67 -145.92 5.94 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.565 ' HG3' HD22 ' A' ' 112' ' ' LEU . 4.1 mm-40 -143.09 147.46 35.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.776 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.646 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.38 130.44 50.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.957 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.942 HG13 HD12 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -122.07 157.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.701 HG22 ' CE2' ' A' ' 101' ' ' PHE . 8.4 p -166.77 121.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.802 ' HB3' HD13 ' A' ' 110' ' ' LEU . 2.6 p -128.02 -169.45 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.227 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.89 37.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.649 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -65.31 178.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.01 158.63 21.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.941 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.87 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.98 25.38 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 12.9 t -134.71 -38.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -74.04 -10.18 59.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -67.06 -30.12 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.46 -39.51 85.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.613 ' HB3' ' CG ' ' A' ' 96' ' ' PHE . 97.1 m-85 -82.91 -23.51 33.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.7 -35.65 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.1 ttp -89.66 -20.49 23.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t -66.62 -37.89 85.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.77 5.35 74.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.5 tp -114.52 10.93 16.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CG ' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.43 -36.06 9.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.989 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -60.26 -22.35 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.022 HG22 HD12 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -80.51 -30.22 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 98' ' ' ILE . 1.3 mp -93.49 -14.16 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.1 OUTLIER 29.45 87.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.701 ' CE2' HG22 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -103.44 167.48 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.602 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -139.98 -148.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.877 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.6 mt-30 -151.57 94.7 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.662 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.2 t 50.08 -62.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.027 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.1 tt0 -36.24 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.613 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.2 tt0 -61.76 -10.51 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.662 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -33.9 -31.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.69 -55.9 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.696 HD13 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -62.83 -16.93 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.983 HD11 ' O ' ' A' ' 47' ' ' LEU . 12.4 tp -57.09 -40.64 77.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.868 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -56.38 -6.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.477 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.014 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.94 21.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 1.012 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.95 49.76 9.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.6 t -179.28 73.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 0.795 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.868 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 159.81 99.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.778 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -151.09 142.05 22.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.841 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -94.83 -163.92 35.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.709 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.63 130.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 0.737 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -138.33 156.38 47.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.674 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 82.8 mtp -148.47 133.79 18.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -144.02 140.84 29.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -110.73 144.96 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.933 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -154.32 107.87 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.0 tt0 65.76 -25.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 155.21 -5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.933 HG12 ' O ' ' A' ' 9' ' ' LYS . 12.0 p -86.91 124.88 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.63 98.01 8.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.745 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.6 m -73.63 130.57 40.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -122.02 101.9 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -95.14 101.97 13.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD21 HG12 ' A' ' 4' ' ' ILE . 6.9 mt -96.29 130.53 43.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.841 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.62 113.75 15.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.11 -113.57 0.57 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.683 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -123.68 160.2 27.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.06 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -121.51 80.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.1 p-10 -139.97 177.8 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.766 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.3 p80 -47.38 -29.25 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.766 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 76.6 m-70 -70.91 -54.02 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.778 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.4 p -78.2 -28.81 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.373 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -66.44 -15.54 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -72.87 -46.74 51.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.461 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -46.15 -48.54 17.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.811 ' C ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.35 -28.2 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -48.5 -42.45 32.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.648 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.29 -31.54 60.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 29' ' ' LEU . 9.1 tmtm? -66.41 -12.69 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.723 HG13 ' HG2' ' A' ' 66' ' ' ARG . 13.9 t -75.59 -55.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.64 -38.32 60.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 15.3 mt-30 -62.86 -46.18 89.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -23.87 53.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD13 HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.59 -39.45 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 63.0 mt-10 -161.97 72.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.4 ttpt -71.41 -47.32 56.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.4 m-20 166.79 -92.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -78.66 -116.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.041 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.3 mm -149.77 86.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 0.0 OUTLIER -83.2 -165.24 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.853 ' CE1' HD22 ' A' ' 112' ' ' LEU . 42.0 m-70 -132.86 159.36 40.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.654 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.854 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -110.46 161.51 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 46' ' ' VAL . 1.2 t -158.06 84.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.675 HD21 HH22 ' A' ' 66' ' ' ARG . 3.7 mm? -81.86 151.65 27.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -176.95 108.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.06 HD13 ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.1 125.57 50.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -22.92 13.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.688 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 26.0 t0 -104.73 66.79 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.44 125.1 36.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.714 ' N ' HD13 ' A' ' 52' ' ' LEU . 11.6 t -137.55 -87.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 2.3 t80 -62.36 -60.85 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 1.008 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 37.89 93.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 15.5 t70 -108.36 171.03 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 1.4 p -69.65 -4.22 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.499 ' HB3' ' N ' ' A' ' 23' ' ' HIS . 62.4 m -55.09 -38.21 67.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.19 -10.56 58.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.34 -45.19 62.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.22 -34.12 33.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.806 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.48 HG22 HD12 ' A' ' 99' ' ' ILE . 1.1 mt -93.74 -38.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.25 -49.38 64.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA2' ' CD ' ' A' ' 68' ' ' LYS . . . -57.66 -24.7 53.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.936 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -81.99 -30.5 31.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.701 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.2 t80 -62.18 -42.6 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.7 -31.19 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.486 ' CD ' ' CD1' ' A' ' 37' ' ' LEU . 2.4 mm-40 -77.18 -50.59 12.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 77' ' ' MET . 6.0 tp -55.84 -35.63 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -75.06 -28.15 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.405 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -72.49 -12.23 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.041 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.8 mm -79.87 -32.64 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.76 21.18 5.11 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -126.76 -133.42 3.83 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.731 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -156.52 157.59 35.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 1.03 ' HB2' HG21 ' A' ' 70' ' ' ILE . 0.3 OUTLIER -122.4 131.22 53.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.88 HG11 ' HA ' ' A' ' 110' ' ' LEU . 67.7 t -126.02 151.46 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.848 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.7 p -150.24 132.29 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 30.5 p -137.56 -169.09 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 77.03 29.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.3 tp -67.33 -149.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.834 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.16 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.039 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.43 21.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.09 30.92 5.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.008 HG22 ' SD ' ' A' ' 55' ' ' MET . 4.3 t -143.75 -37.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -74.87 -9.24 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -74.62 -17.36 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.517 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 6.3 mt -70.48 -44.97 66.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.716 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 22.0 m-85 -85.18 -21.87 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.17 -34.17 72.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.4 ttp -90.42 -26.63 19.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -66.82 -32.18 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.87 18.5 78.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.511 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 5.4 tp -123.1 9.17 9.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.716 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.62 -33.44 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.1 -23.48 66.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.797 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -83.04 -10.54 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.695 HD11 ' HA ' ' A' ' 64' ' ' LEU . 45.5 mm -116.4 -14.38 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER 32.75 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -104.37 173.69 6.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.41 -146.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.882 ' O ' ' N ' ' A' ' 105' ' ' GLU . 69.9 mt-30 -154.99 94.72 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' ' 107' ' ' GLN . 27.7 t 48.81 -63.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -34.71 -32.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.607 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -64.76 -9.41 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 104' ' ' SER . 6.5 tp-100 -33.64 -31.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -84.7 -53.98 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.5 OUTLIER -64.9 -18.93 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.88 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.37 -42.68 74.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.955 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -56.07 -4.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.356 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.853 HD22 ' CE1' ' A' ' 44' ' ' HIS . 3.1 tt 96.87 26.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 41.49 25.55 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.589 1.18 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.772 ' HB ' HD23 ' A' ' 112' ' ' LEU . 53.8 t -148.3 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.955 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 160.71 95.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.995 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.873 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -134.63 144.05 47.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.733 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -101.24 -169.04 28.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 175.53 135.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.2 t70 -141.89 170.81 15.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.8 mtp -156.17 136.16 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.942 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -138.9 173.67 11.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -139.16 132.2 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.752 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -141.58 104.31 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.4 tt0 62.29 -26.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.752 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 161.51 -5.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.938 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -92.12 121.38 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -95.47 106.47 18.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.687 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -73.24 127.95 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 108.381 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.7 mp -114.52 98.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -97.69 108.5 21.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 110.237 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -115.27 133.53 55.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.099 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.2 p -124.0 114.85 20.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.676 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.32 -111.21 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -141.09 159.9 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.734 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.926 HD12 ' HG3' ' A' ' 55' ' ' MET . 0.3 OUTLIER -125.03 94.24 4.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.705 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -141.27 165.79 26.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.747 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -41.61 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.747 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.2 m-70 -86.77 -55.32 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.873 ' HB ' HD13 ' A' ' 2' ' ' LEU . 9.0 p -78.78 -2.5 39.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.705 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -79.34 -35.68 40.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -49.31 -49.15 45.19 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -44.85 -45.02 9.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.35 -28.53 62.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.25 -43.5 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 34' ' ' THR . 0.5 OUTLIER -59.93 -36.45 77.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 11.0 tptt -67.87 -18.15 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.718 HG12 ' CD2' ' A' ' 37' ' ' LEU . 17.1 t -70.11 -56.46 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -51.61 -41.97 61.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.566 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 mt-30 -60.94 -46.3 91.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.886 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.23 -23.15 54.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.937 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.24 -35.36 36.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 6.3 mt-10 -168.82 79.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.88 -50.87 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 150.37 -82.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 23.1 t0 -73.75 -130.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.899 HD11 ' O ' ' A' ' 73' ' ' ILE . 11.6 mm -144.0 77.51 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -80.64 -166.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.096 ' CD2' HD22 ' A' ' 112' ' ' LEU . 81.0 m-70 -134.83 160.43 38.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.638 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.928 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -109.03 158.62 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.938 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -157.18 86.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 1.6 mp -80.16 156.47 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.534 ' ND2' ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -175.53 110.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.686 ' HG ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.08 125.8 46.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 -23.65 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' OD1' ' HA2' ' A' ' 19' ' ' GLY . 18.1 t0 -118.68 63.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.714 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -85.61 103.1 14.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 t -109.11 -71.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.735 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 86.1 t80 -85.62 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.926 ' HG3' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 38.0 85.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.735 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.2 t70 -108.84 -149.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.583 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 77.7 p -100.65 -0.38 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.954 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 2.9 m -63.2 -12.03 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.63 10.0 4.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.79 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.39 -54.39 32.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 0.739 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -56.31 -37.86 75.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -61.54 -20.58 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.38 -32.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -75.48 -24.07 56.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . -75.71 -15.61 81.18 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -91.9 -37.33 12.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.602 0.824 . . . . 0.0 110.255 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.743 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.6 t80 -56.71 -45.27 81.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 98' ' ' ILE . 2.4 mtmt -81.07 8.02 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 37' ' ' LEU . 1.4 tp-100 -102.3 -47.44 4.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 73' ' ' ILE . 9.0 tp -66.35 -35.0 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -76.62 -23.72 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -28.39 62.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.899 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.5 mt -81.66 -36.11 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.21 36.69 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.46 -138.67 4.16 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.673 ' OE1' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -162.0 147.26 13.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 0.713 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.928 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 5.0 tpt -108.0 130.45 55.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.926 HG12 HD23 ' A' ' 110' ' ' LEU . 21.9 t -128.85 149.25 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.944 HG13 ' CD2' ' A' ' 101' ' ' PHE . 6.8 p -145.82 138.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.967 ' SG ' HD11 ' A' ' 110' ' ' LEU . 1.8 p -126.33 -165.24 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.14 43.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.875 HD11 ' CB ' ' A' ' 87' ' ' LYS . 5.6 tp -61.91 170.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.54 163.8 17.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.43 21.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.23 42.45 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.695 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -154.16 -37.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.875 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -76.62 -8.55 57.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -80.69 -16.48 53.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' ASP . 6.7 mt -73.0 -41.47 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.79 ' CE2' HD21 ' A' ' 60' ' ' LEU . 16.0 m-85 -87.69 -20.64 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.945 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.81 -34.15 66.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -39.87 22.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -66.4 -29.95 70.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.1 1.92 57.44 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.426 1.079 . . . . 0.0 111.069 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -95.65 9.7 39.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.08 -39.13 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -61.08 -20.41 62.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.743 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.64 -18.14 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.727 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -114.09 -11.63 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER 36.48 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.944 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.2 t80 -114.0 167.72 10.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -143.13 -134.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 105' ' ' GLU . 4.0 mt-30 -155.72 108.96 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.58 ' O ' ' N ' ' A' ' 106' ' ' GLN . 5.3 t 49.75 -76.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.709 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -31.92 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.757 ' HB2' ' HB3' ' A' ' 102' ' ' GLU . 2.8 tt0 -47.04 -24.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 1.044 ' HA ' HD12 ' A' ' 110' ' ' LEU . 31.4 tt0 -42.8 -20.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -92.0 -42.19 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.732 HD23 ' NE2' ' A' ' 106' ' ' GLN . 33.5 tp -72.94 -22.31 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.044 HD12 ' HA ' ' A' ' 107' ' ' GLN . 75.7 mt -55.22 -46.54 75.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.002 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -55.29 -2.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.451 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.096 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 99.09 18.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 49.13 19.91 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.4 t -149.21 80.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.979 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 163.69 93.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -177.84 140.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.869 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.69 -159.78 23.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.67 HD13 HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER 177.71 134.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.537 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -133.16 163.59 28.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.575 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 23.7 mtm -152.15 139.4 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.937 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.1 175.73 9.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 1.1 t -145.07 138.94 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.714 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.45 104.36 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.2 tt0 63.51 -29.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.714 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.51 -4.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.913 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.66 121.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.45 113.58 25.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -79.83 124.98 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.974 HG22 HD21 ' A' ' 17' ' ' LEU . 1.2 mp -113.94 101.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -91.25 117.29 29.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.974 HD21 HG22 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -102.14 127.07 49.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.06 115.68 18.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.79 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 144.7 -121.08 1.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.943 ' O ' HD13 ' A' ' 2' ' ' LEU . 1.1 mt-10 -126.03 157.54 37.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.712 ' CD2' HD13 ' A' ' 49' ' ' LEU . 1.2 mm? -121.14 99.94 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -149.28 165.19 32.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.491 ' N ' ' HB2' ' A' ' 58' ' ' SER . 1.9 p80 -41.7 -25.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.595 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.482 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.6 m80 -81.85 -56.3 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 109.553 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.83 ' HB ' HD22 ' A' ' 2' ' ' LEU . 25.6 p -79.85 -9.07 59.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -78.06 -15.18 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -65.53 -45.77 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -43.77 -48.13 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.844 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -74.03 -26.4 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HD2' HG22 ' A' ' 62' ' ' VAL . 1.1 tptt -56.81 -43.73 81.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' THR . 14.8 pt20 -74.26 -35.76 63.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 110.203 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 29' ' ' LEU . 10.9 tptt -61.86 -13.54 25.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 29' ' ' LEU . 14.8 t -74.97 -55.02 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -53.14 -38.85 63.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 16.8 mt-30 -61.52 -45.44 94.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.658 ' HA ' HH21 ' A' ' 43' ' ' ARG . 0.2 OUTLIER -76.7 -23.12 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 0.0 110.036 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.838 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -48.5 -33.31 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 32.6 mt-10 -160.9 76.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -69.99 -49.16 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.7 m-20 164.19 -93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.0 t70 -79.38 -111.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.021 HD11 ' O ' ' A' ' 73' ' ' ILE . 2.0 mm -148.41 80.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.79 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -82.05 -170.94 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.923 ' CE1' HD22 ' A' ' 112' ' ' LEU . 55.2 m-70 -128.59 159.14 36.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.521 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.31 161.01 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' CG2' ' A' ' 12' ' ' VAL . 2.0 t -157.52 83.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.642 ' O ' HD21 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -83.62 153.51 24.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 110' ' ' LEU . 17.4 p-10 178.09 112.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.967 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.34 124.65 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -22.36 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.722 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 42.0 t0 -103.64 62.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.827 ' HA ' HD11 ' A' ' 49' ' ' LEU . 1.3 tm? -83.22 108.09 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.3 t -109.44 -88.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 42.4 t80 -70.56 -79.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.926 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.55 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 5.3 t70 -112.23 -145.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD21 ' A' ' 89' ' ' LEU . 1.5 p -93.31 26.7 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -90.8 -55.31 3.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -85.82 -6.55 82.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.878 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.09 -42.67 60.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 0.768 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.95 -33.64 36.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.84 -23.85 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.0 mt -95.79 -31.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' CG2' ' A' ' 98' ' ' ILE . 4.1 tp -73.67 -27.25 61.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.4 -14.32 77.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -91.04 -35.04 14.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.27 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.702 ' CD2' ' HB3' ' A' ' 77' ' ' MET . 2.0 t80 -60.93 -47.79 84.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -5.84 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.838 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -97.32 -50.3 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 77' ' ' MET . 3.8 tp -63.72 -32.31 56.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -73.05 -27.49 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.68 ' HG2' HD13 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -76.72 -16.6 59.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.021 ' O ' HD11 ' A' ' 42' ' ' ILE . 2.7 mm -80.68 -33.74 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.72 18.71 3.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -119.48 -135.66 5.12 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.736 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -155.7 153.79 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.702 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -111.88 127.62 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.955 HG11 ' HA ' ' A' ' 110' ' ' LEU . 42.2 t -126.27 148.23 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.982 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.8 p -155.05 135.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 13.9 p -138.43 -169.6 2.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.92 40.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.827 HG23 ' N ' ' A' ' 83' ' ' SER . 5.3 tp -66.5 -146.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.827 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -177.89 162.23 1.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.5 18.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.01 30.61 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 52' ' ' LEU . 1.1 t -145.9 -35.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.536 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 4.0 ttpt -65.81 -18.89 65.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.071 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -65.3 -21.91 66.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.507 HD21 ' N ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -65.54 -46.8 78.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.878 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.7 m-85 -84.6 -23.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -69.79 -34.44 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 6.7 ttp -90.22 -26.53 20.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -65.92 -42.98 89.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.94 86.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.09 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.9 tp -112.1 10.2 20.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 0.734 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -48.14 -33.29 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.939 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -61.75 -24.28 66.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.694 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.37 -9.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.652 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 19.8 mm -116.02 -13.3 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.497 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 31.03 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.982 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -103.39 171.23 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.571 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -145.54 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.866 ' O ' ' N ' ' A' ' 105' ' ' GLU . 49.9 mt-30 -152.21 92.69 1.73 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.79 ' O ' ' N ' ' A' ' 107' ' ' GLN . 25.3 t 49.73 -63.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.866 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.4 tt0 -34.52 -31.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.631 ' O ' ' N ' ' A' ' 110' ' ' LEU . 7.5 tt0 -65.65 -10.13 33.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.79 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.0 tp-100 -33.78 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.99 -53.66 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.58 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.7 OUTLIER -64.91 -18.81 65.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.955 ' HA ' HG11 ' A' ' 78' ' ' VAL . 5.1 tp -55.77 -36.25 67.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.941 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -57.35 -5.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.923 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.7 tt 97.67 26.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.58 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 41.22 26.19 0.18 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.714 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 36.2 t -145.37 71.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.941 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.43 95.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 3.7 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.909 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER 70.48 131.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.832 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -144.62 79.64 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.82 HD12 ' H ' ' A' ' 5' ' ' ASP . 3.0 tp -70.59 151.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.82 ' H ' HD12 ' A' ' 4' ' ' ILE . 26.7 t0 -141.51 170.41 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.608 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 34.7 mtp -156.96 134.26 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.672 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -143.52 164.69 29.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -133.41 142.21 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.159 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.731 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.11 104.74 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.28 -27.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.738 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 161.57 -3.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.884 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.9 p -88.28 120.75 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -93.06 102.94 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.717 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.76 131.54 37.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' C ' ' A' ' 14' ' ' CYS . 1.6 mp -120.48 90.78 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -88.25 101.69 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.876 ' CD1' HD21 ' A' ' 49' ' ' LEU . 1.9 tm? -103.39 124.9 49.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.832 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -127.9 110.38 12.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.909 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 162.42 -120.17 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' CB ' HG21 ' A' ' 25' ' ' THR . 0.1 OUTLIER -123.55 163.01 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.318 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD21 HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.3 88.74 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.807 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -142.04 169.23 17.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.725 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -47.77 -16.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.555 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.725 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 61.1 m-70 -95.79 -52.88 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.646 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.797 ' HB ' HD13 ' A' ' 2' ' ' LEU . 18.2 p -79.91 -20.72 45.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -77.15 -14.45 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -62.28 -46.97 86.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -43.16 -47.84 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.6 tp -72.67 -29.98 63.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -51.97 -43.41 63.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 34' ' ' THR . 17.5 pt20 -77.62 -33.34 53.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -63.76 -12.1 32.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' LEU . 11.8 t -75.52 -54.6 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -54.0 -39.06 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 19.9 mt-30 -62.73 -47.46 83.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -76.05 -23.49 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.755 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -51.34 -34.13 32.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -165.26 76.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.252 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HZ3' HD23 ' A' ' 13' ' ' LEU . 8.0 ttpt -69.96 -47.12 63.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 165.86 -91.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.78 -140.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -125.95 82.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.63 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.62 -166.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.004 ' CD2' HD22 ' A' ' 112' ' ' LEU . 57.3 m-70 -127.8 159.98 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.62 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.227 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.56 157.67 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.884 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -159.01 84.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 110' ' ' LEU . 3.7 mm? -83.44 153.1 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -176.72 107.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.63 122.49 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.95 -22.97 16.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.148 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' HB3' ' N ' ' A' ' 19' ' ' GLY . 15.5 t70 -121.45 66.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.026 HD22 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -96.18 113.66 25.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -129.31 -88.62 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.648 ' CD2' ' OD1' ' A' ' 22' ' ' ASP . 59.2 t80 -47.56 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.865 ' HE3' ' O ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 34.43 87.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.0 110.996 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 2.2 t70 -100.47 -146.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -94.84 12.5 27.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.567 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -78.98 -61.07 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -78.56 -19.28 74.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.21 -44.47 53.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.24 -32.3 39.38 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.55 -24.17 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -88.92 -34.68 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.666 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -67.62 -46.25 73.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.01 -9.77 42.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 70' ' ' ILE . 2.1 mtp180 -100.29 -34.03 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CE1' ' HA ' ' A' ' 99' ' ' ILE . 2.5 t80 -54.91 -35.19 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.64 -25.83 22.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.68 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -94.28 -9.57 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.763 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.5 tp -98.31 -36.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 1.2 mttt -72.42 -22.91 61.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.609 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.6 OUTLIER -74.41 -33.98 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.609 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -132.18 33.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -142.83 4.71 1.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . 66.38 -59.26 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.977 ' O ' HD12 ' A' ' 45' ' ' ILE . 12.9 mm-40 -144.41 147.36 33.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.812 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -107.97 125.82 51.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.888 HG11 ' CA ' ' A' ' 110' ' ' LEU . 1.1 t -125.1 158.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.63 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 10.0 p -166.89 112.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.689 ' SG ' HD13 ' A' ' 110' ' ' LEU . 17.7 p -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 72.58 40.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.788 HG23 ' N ' ' A' ' 83' ' ' SER . 3.7 tp -76.44 -144.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.788 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -177.87 161.94 1.31 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.69 11.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.39 27.07 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.913 HG21 HD12 ' A' ' 52' ' ' LEU . 3.0 t -139.45 -36.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.527 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.15 -9.58 58.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' N ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -71.02 -23.12 62.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.344 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HA ' HD23 ' A' ' 89' ' ' LEU . 2.4 mt -64.05 -46.14 85.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.729 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 20.1 m-85 -85.74 -21.64 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -71.36 -34.23 70.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.2 ttt -83.92 -35.26 24.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.4 t -65.46 -46.17 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.92 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.92 -5.34 79.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.6 tp -94.07 10.65 32.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.713 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.81 -32.7 9.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.921 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.6 -22.35 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.696 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -83.17 -11.64 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.217 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.1 mm -115.37 -14.32 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.504 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.3 OUTLIER 32.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.66 171.49 7.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.59 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -149.0 -145.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.222 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.849 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.8 mt-30 -157.68 99.82 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.772 ' O ' ' N ' ' A' ' 107' ' ' GLN . 13.2 t 51.42 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.8 tt0 -38.16 -29.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.6 tt0 -72.54 -23.0 60.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.237 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 104' ' ' SER . 5.8 tp60 -33.35 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -83.77 -62.72 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -59.46 -16.89 26.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.236 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.888 ' CA ' HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -58.9 -37.34 76.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.09 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -59.99 -0.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.004 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 105.63 16.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 109' ' ' LEU . . . 75.6 -4.71 41.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.641 HG12 ' H ' ' A' ' 115' ' ' ALA . 2.8 t -122.4 -139.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 1.09 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 35.44 39.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.724 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 59.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.825 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 4.7 tp 143.19 138.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.876 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -108.73 -156.11 17.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.567 1.167 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.615 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.92 134.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -145.43 144.82 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.698 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 30.1 mtp -137.76 136.05 36.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.806 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -137.62 164.56 28.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.524 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -127.83 140.59 48.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.55 103.75 3.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.629 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.3 tt0 63.41 -29.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.24 -2.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.951 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.0 p -91.87 123.48 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.806 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.74 101.8 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.698 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.5 OUTLIER -71.56 130.23 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.2 mp -117.65 95.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 1.1 ttt180 -90.48 99.28 12.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -94.01 129.61 40.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.876 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.07 114.93 18.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.84 -118.99 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' O ' HD13 ' A' ' 2' ' ' LEU . 3.3 mt-10 -129.54 155.74 45.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.734 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.012 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -117.4 83.8 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 1.038 ' OD1' HG23 ' A' ' 25' ' ' THR . 26.3 p30 -130.22 177.32 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.742 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 2.0 p80 -55.22 -16.56 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.742 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.4 m-70 -88.15 -47.84 8.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.038 HG23 ' OD1' ' A' ' 22' ' ' ASP . 6.6 p -78.48 -33.23 48.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.406 1.066 . . . . 0.0 110.345 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.18 -46.12 68.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -53.51 -51.0 64.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 110.352 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 25' ' ' THR . 14.5 m -44.44 -46.64 9.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.069 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -68.42 -30.56 69.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.735 ' CD ' HH21 ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.38 -44.38 62.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.606 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -73.63 -33.89 64.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.662 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -73.37 -12.87 60.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.069 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.6 t -88.68 -52.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.606 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -43.12 -33.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.662 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 17.1 mt-30 -66.75 -46.25 76.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.513 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -77.85 -24.34 48.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.947 HD23 HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.13 -32.46 16.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 56.9 mt-10 -160.45 74.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' HZ2' ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -70.99 -43.17 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.0 m-20 159.99 -84.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 40.7 t0 -74.6 -130.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -138.25 86.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.688 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 1.7 mtt85 -84.45 -166.61 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.076 ' CD2' HD22 ' A' ' 112' ' ' LEU . 70.1 m-70 -128.59 162.59 26.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.241 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.36 155.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.951 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.6 t -158.68 85.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.891 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -83.11 152.5 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' NE ' ' A' ' 16' ' ' ARG . 3.5 t30 -177.1 109.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.724 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -100.33 119.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.97 -23.24 18.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.128 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 54.7 t0 -114.42 63.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.907 HD22 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -84.44 104.63 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.1 t -111.62 -85.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 30.3 t80 -75.19 -61.09 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 1.012 ' SD ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 31.77 81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 111.072 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.8 t70 -99.39 -152.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.58 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -100.12 2.89 43.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.619 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.9 OUTLIER -53.46 -36.74 61.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.72 7.98 31.86 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.583 1.177 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.678 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -50.41 -45.96 55.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.77 79.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -21.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.777 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.88 -40.28 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -69.18 -47.59 64.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.32 -12.21 63.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.52 1.137 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 1.01 ' CG ' HG11 ' A' ' 33' ' ' VAL . 1.2 mpt_? -98.64 -43.38 6.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.767 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.5 t80 -41.37 -37.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CE ' HD11 ' A' ' 98' ' ' ILE . 5.0 mmmt -81.2 -34.56 32.19 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.743 ' O ' HD12 ' A' ' 73' ' ' ILE . 2.7 mt-30 -79.32 -45.93 18.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.854 HG22 ' O ' ' A' ' 66' ' ' ARG . 6.3 tp -65.54 -25.77 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 77' ' ' MET . 0.2 OUTLIER -72.8 -44.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.572 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -52.75 -38.55 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -124.71 35.05 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -139.93 -0.28 1.99 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.66 -59.77 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.95 ' O ' HD12 ' A' ' 45' ' ' ILE . 21.1 mm-40 -144.88 147.9 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.796 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.757 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.25 119.66 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.876 ' H ' HD11 ' A' ' 45' ' ' ILE . 21.1 t -131.01 151.64 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.757 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.5 p -151.25 135.44 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.716 ' HB3' HD13 ' A' ' 110' ' ' LEU . 13.9 p -125.43 -168.29 1.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.06 50.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.744 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.0 tp -70.25 172.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.87 162.0 23.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -124.31 45.25 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 52' ' ' LEU . 1.4 t -158.55 -35.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.744 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -80.37 -3.89 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.573 ' NH1' ' CD1' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -83.56 -16.51 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.573 ' CD1' ' NH1' ' A' ' 88' ' ' ARG . 17.3 mt -73.78 -42.36 61.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 13.3 m-85 -87.26 -18.71 29.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -74.5 -34.26 63.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.91 -40.89 19.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -33.47 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.7 -1.85 60.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.7 tp -90.72 10.72 24.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.699 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.02 -32.88 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -62.62 -21.77 65.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.753 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.57 -9.86 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -115.3 -14.51 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER 32.49 88.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.757 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.3 t80 -111.49 170.38 8.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.642 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.4 OUTLIER -143.61 -145.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 21.2 mt-30 -148.51 88.89 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.761 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.4 t 48.9 -63.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -35.06 -30.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.642 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 6.8 tt0 -66.42 -6.08 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 104' ' ' SER . 43.6 tp60 -35.95 -29.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.85 -47.83 7.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.701 HD22 ' HA2' ' A' ' 113' ' ' GLY . 0.2 OUTLIER -60.97 -29.12 69.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 47' ' ' LEU . 7.3 tp -49.54 -43.0 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -59.84 -0.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.444 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.076 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.27 18.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.701 ' HA2' HD22 ' A' ' 109' ' ' LEU . . . 49.0 20.16 1.79 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -150.05 78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.45 0.736 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 163.12 96.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.802 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 9.4 tp 70.89 136.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.833 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -106.1 -151.98 19.67 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER 176.46 135.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -144.33 144.14 31.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 25.2 mtm -137.39 134.53 36.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.646 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -139.71 165.87 26.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -131.71 144.02 38.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.738 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.86 104.66 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.8 tt0 63.36 -26.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.738 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.86 -5.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.995 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.92 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.6 p -86.3 126.42 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.665 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.4 102.76 14.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.774 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -75.2 134.08 41.27 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -123.39 91.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -87.2 103.84 15.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.813 HD11 HD22 ' A' ' 29' ' ' LEU . 22.8 mt -96.87 130.81 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.235 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.833 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.2 p -128.21 114.27 16.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.802 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.17 -120.2 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.5 OUTLIER -124.18 159.56 29.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HA ' ' HG1' ' A' ' 25' ' ' THR . 0.0 OUTLIER -117.93 93.11 4.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.952 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.3 p30 -148.64 169.03 21.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.497 ' H ' ' CB ' ' A' ' 58' ' ' SER . 2.4 p80 -42.56 -28.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' ' C ' ' A' ' 22' ' ' ASP . 7.8 m80 -74.81 -57.23 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.615 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.952 HG23 ' OD1' ' A' ' 22' ' ' ASP . 17.6 p -77.82 -14.96 59.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.462 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.72 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.16 -15.03 61.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -69.58 -44.97 69.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -45.34 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.861 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -70.88 -27.23 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -60.33 -42.77 96.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.769 ' O ' HG23 ' A' ' 34' ' ' THR . 17.7 pt20 -78.74 -22.67 46.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HB3' HD13 ' A' ' 29' ' ' LEU . 23.7 tptt -72.24 -24.76 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.1 t -64.27 -59.51 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.833 HG23 HE21 ' A' ' 35' ' ' GLN . 0.3 OUTLIER -45.76 -31.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.833 HE21 HG23 ' A' ' 34' ' ' THR . 5.9 mm-40 -68.58 -44.4 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -76.4 -23.46 54.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -48.69 -35.51 14.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -164.27 75.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -71.77 -48.55 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.7 m-20 168.05 -93.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.25 -114.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.044 ' CD1' HG22 ' A' ' 73' ' ' ILE . 5.2 mm -147.38 80.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER -77.86 -168.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.699 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 36.4 m-70 -131.23 159.5 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.233 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -101.45 158.23 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.92 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.02 85.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.479 HD11 ' NH2' ' A' ' 66' ' ' ARG . 3.6 mm? -83.85 151.55 25.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.484 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.0 p30 -179.43 108.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.61 125.27 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.05 -21.3 15.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.7 t0 -106.63 67.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.839 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -93.26 124.51 37.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 2.0 t -134.84 -88.8 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.665 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.4 t80 -62.88 -60.71 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.967 ' O ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER 39.15 94.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 111.064 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.665 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 8.3 t70 -113.74 171.2 7.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 9.6 p -69.79 -2.35 11.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.497 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.5 m -56.55 -40.17 74.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' HA2' ' HB1' ' A' ' 26' ' ' ALA . . . -92.58 -7.99 62.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.45 -43.3 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.07 -34.55 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.72 HG21 ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -63.31 -24.43 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 0.814 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.33 -34.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.028 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.41 -39.95 85.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.2 -22.77 44.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.579 1.174 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.688 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -87.64 -51.35 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.676 ' CE2' ' HA ' ' A' ' 99' ' ' ILE . 1.7 t80 -40.79 -37.65 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -79.6 -37.2 36.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.802 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.0 -46.81 64.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.0 HG21 ' HB3' ' A' ' 77' ' ' MET . 4.9 tp -55.57 -46.59 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -70.86 -22.96 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -70.41 -24.83 62.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.044 HG22 ' CD1' ' A' ' 42' ' ' ILE . 3.0 mt -81.45 -31.88 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 20.53 7.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.075 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.05 -143.61 12.13 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.754 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.6 mm-40 -141.96 148.36 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 1.0 ' HB3' HG21 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -116.3 124.9 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.872 ' N ' HD11 ' A' ' 45' ' ' ILE . 67.8 t -132.63 144.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.779 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 8.5 p -145.39 133.73 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -136.18 -170.04 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.11 47.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.815 HG23 ' N ' ' A' ' 83' ' ' SER . 3.4 tp -90.55 -150.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.815 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.0 OUTLIER 179.22 169.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.892 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.59 12.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.587 1.835 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -132.02 23.83 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.776 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.6 t -136.02 -37.23 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.495 ' CB ' HG12 ' A' ' 82' ' ' ILE . 8.7 pttm -72.28 -10.4 59.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -69.02 -28.07 66.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mt -57.5 -46.18 84.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.705 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 31.9 m-85 -86.45 -26.86 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.77 -33.96 74.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 20.8 ttt -81.17 -33.44 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -49.07 68.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.91 16.66 47.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.898 HD13 ' CG2' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.45 11.56 10.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 0.0 109.327 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -45.64 -26.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -22.61 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.898 ' CG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.18 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 1.028 HD11 HD22 ' A' ' 64' ' ' LEU . 19.5 mm -114.8 -17.15 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.226 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 14.4 ttm-85 30.09 89.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.779 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -109.81 169.31 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -142.78 -146.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.852 ' O ' ' N ' ' A' ' 105' ' ' GLU . 79.5 mt-30 -154.54 95.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.72 ' O ' ' N ' ' A' ' 107' ' ' GLN . 15.5 t 49.99 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.852 ' N ' ' O ' ' A' ' 103' ' ' GLN . 4.0 tt0 -34.7 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.1 tt0 -62.12 -12.66 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.72 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.2 tt0 -34.24 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -86.71 -56.29 3.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.676 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -64.84 -12.17 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -62.78 -38.14 89.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.881 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -57.84 -6.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 110.46 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.993 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 106.48 23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 42.82 52.58 5.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 113' ' ' GLY . 1.0 OUTLIER 176.27 81.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.353 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.0 96.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.604 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 65.9 m . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.699 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 tp 155.8 141.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.324 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -103.72 -176.45 25.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER 179.47 131.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.644 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 t70 -134.86 171.24 14.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.702 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 13.2 mtm -155.46 132.94 11.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.868 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -142.46 166.98 23.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.509 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -131.75 142.82 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.712 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -147.63 103.79 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.0 tt0 63.98 -28.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.712 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 162.61 -2.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.963 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -93.97 120.0 42.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.035 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.54 107.18 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -74.66 137.85 42.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.7 mp -126.96 96.58 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.359 1.037 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.644 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.6 OUTLIER -98.39 110.82 23.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.74 138.11 52.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.747 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.4 p -129.18 114.57 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.652 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 165.63 -118.43 0.8 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.458 1.098 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.05 162.56 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 0.802 . . . . 0.0 110.301 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.767 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -119.22 84.59 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -142.16 170.3 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' N ' ' CB ' ' A' ' 58' ' ' SER . 3.1 p80 -45.53 -27.78 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.5 -50.41 18.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.699 ' HB ' HD13 ' A' ' 2' ' ' LEU . 1.4 p -79.49 -28.42 41.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.21 -17.83 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -68.21 -46.81 69.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.147 . . . . 0.0 110.223 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -45.79 -48.57 15.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.2 tp -65.77 -29.57 70.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -45.6 -43.55 12.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.631 ' O ' HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -72.61 -34.44 67.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 39.2 tptt -66.74 -12.29 58.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.821 HG12 HD13 ' A' ' 37' ' ' LEU . 37.4 t -77.51 -55.55 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -50.46 -39.77 48.92 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 10.0 mt-30 -65.65 -49.05 70.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.616 ' OG ' HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -76.38 -24.42 54.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.821 HD13 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -50.46 -36.04 31.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 33.4 mt-10 -160.37 73.51 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.2 ptpt -72.87 -40.82 65.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.598 1.186 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 2.3 m-20 152.1 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -77.22 -139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -133.75 85.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.878 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -83.08 -168.08 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.171 . . . . 0.0 110.271 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.918 ' O ' HD22 ' A' ' 13' ' ' LEU . 54.8 m-70 -127.93 159.7 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.617 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.727 ' CG1' ' HA ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -106.09 161.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.963 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.22 86.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.913 HD11 ' HE3' ' A' ' 77' ' ' MET . 12.8 mt -85.7 154.99 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.43 108.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.82 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -111.91 127.4 55.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -22.1 13.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.618 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 32.5 t0 -104.74 67.84 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.837 HD13 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -96.57 125.68 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.683 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.1 t -139.67 -86.12 0.22 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.162 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.676 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 80.1 t80 -54.28 -70.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 1.006 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.48 91.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.676 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 6.8 t0 -112.64 -151.18 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 33.0 t -95.89 29.02 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.47 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -87.57 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -83.43 -16.27 69.26 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.882 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -44.94 61.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.373 0.69 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.86 -34.87 32.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.574 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -65.46 -21.53 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.435 0.726 . . . . 0.0 109.227 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' GLY . 2.6 mt -98.44 -38.14 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' CD ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -63.45 -50.18 70.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -25.39 71.89 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.559 1.162 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.625 ' HG3' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -84.29 -43.01 15.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -39.68 -44.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.543 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -70.82 -41.0 72.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.966 ' O ' HD12 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -72.5 -48.45 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.634 ' CG1' HG21 ' A' ' 45' ' ' ILE . 8.7 tp -61.64 -27.93 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HD2' ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -75.35 -31.26 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.582 ' HG2' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -69.74 -30.7 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -130.87 32.7 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.351 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.598 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -150.89 12.56 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 61.52 -64.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.646 ' CG ' HD11 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -148.62 150.27 32.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.913 ' HE3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -104.23 131.14 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -121.11 157.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.233 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 101' ' ' PHE . 12.6 p -163.3 124.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 p -125.51 -170.68 2.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.82 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.53 34.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.562 HG21 ' HG2' ' A' ' 103' ' ' GLN . 0.7 OUTLIER -59.75 179.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -161.08 159.0 24.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 2.89 6.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -136.77 26.23 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.006 HG22 ' SD ' ' A' ' 55' ' ' MET . 13.9 t -134.31 -39.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 52.5 pttt -71.79 -10.48 59.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.69 -25.85 64.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.2 mt -67.99 -45.52 73.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.882 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 44.1 m-85 -82.52 -19.42 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -70.84 -35.78 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 mtt -88.92 -27.09 21.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -29.04 69.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.913 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.07 21.0 67.55 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.83 HD22 ' HB ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -128.81 12.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 0.762 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -42.08 -30.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -22.38 65.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.83 ' HB ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.65 -8.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.699 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 31.6 mm -114.91 -15.75 9.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 30.79 88.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.6 OUTLIER -111.9 166.87 10.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.576 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -135.19 -146.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.904 ' O ' ' N ' ' A' ' 105' ' ' GLU . 29.6 mt-30 -154.64 96.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.745 ' O ' ' N ' ' A' ' 107' ' ' GLN . 28.1 t 46.64 -65.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.904 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.4 tt0 -34.17 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 110' ' ' LEU . 2.0 tt0 -61.71 -11.26 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' A' ' 104' ' ' SER . 1.1 pt20 -35.08 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.193 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -93.12 -51.26 5.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.711 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.1 -15.11 62.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.916 ' O ' HG22 ' A' ' 46' ' ' VAL . 9.0 tp -55.31 -37.01 66.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.767 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.09 -4.68 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.426 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.2 OUTLIER 94.67 28.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.711 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 40.38 25.67 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.899 HG11 ' NE2' ' A' ' 44' ' ' HIS . 92.8 t -128.72 61.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.767 ' HB3' HG21 ' A' ' 111' ' ' THR . . . 162.21 94.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.2 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -156.04 140.41 16.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.83 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -96.46 -163.17 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.155 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.719 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -179.88 132.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.561 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -143.54 145.76 32.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.644 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 14.2 mtt -139.12 135.08 33.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.31 163.57 32.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -127.78 141.37 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.728 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.54 104.73 4.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.6 tt0 63.14 -26.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.728 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.77 -2.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.017 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.917 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.8 p -89.32 124.96 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.05 100.71 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.861 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.3 m -74.25 138.09 43.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.312 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.861 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.6 mp -129.33 102.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -99.27 100.38 11.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD21 HG12 ' A' ' 4' ' ' ILE . 6.5 mt -96.24 129.36 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.83 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -128.06 115.43 18.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.14 -119.64 1.02 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.954 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -122.35 158.17 30.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 0.814 . . . . 0.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -125.4 84.84 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.696 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -136.19 167.64 20.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.469 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.4 p80 -42.88 -26.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 22' ' ' ASP . 5.2 m80 -77.73 -53.05 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.86 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -78.91 -21.34 47.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -72.41 -17.84 61.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -70.06 -45.76 66.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -47.12 -47.13 23.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -67.84 -28.08 67.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -46.78 -40.96 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.638 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -75.33 -33.28 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.715 ' HB3' HD22 ' A' ' 29' ' ' LEU . 33.3 tptt -65.83 -13.1 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 66' ' ' ARG . 12.1 t -72.31 -56.55 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.83 -38.24 61.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 12.0 mt-30 -64.56 -47.46 78.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 -26.55 56.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -51.22 -37.58 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.311 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 28.4 mt-10 -161.67 75.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 9.5 ttpt -69.1 -46.96 66.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 1.9 m-20 167.11 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -77.32 -139.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -126.1 83.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -82.52 -166.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.02 ' CD2' HD22 ' A' ' 112' ' ' LEU . 47.4 m-70 -130.8 160.54 34.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.59 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.217 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -102.83 157.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.917 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -159.23 87.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -83.24 154.06 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.464 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.84 109.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -100.26 123.62 44.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -23.39 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 56.9 t0 -122.2 63.33 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -84.64 99.64 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.0 t -103.19 -88.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 79.2 t80 -61.8 -81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 1.005 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 45.84 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.643 ' O ' ' HE2' ' A' ' 55' ' ' MET . 13.0 t0 -109.55 -144.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -95.98 6.09 49.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.469 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -62.98 -55.11 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -87.59 0.5 85.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.626 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -51.01 -43.21 60.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.87 -35.99 26.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.558 1.161 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.618 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -64.43 -21.68 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -95.11 -37.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -67.29 -47.37 70.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -67.5 -14.06 64.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.83 ' HD3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.78 -38.82 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 3.8 t80 -45.87 -48.65 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -76.81 -36.66 56.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.753 ' CG ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.72 -22.04 61.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.691 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -97.08 -41.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.727 ' HB3' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -65.02 -34.0 77.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.596 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -60.24 -39.89 88.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.574 ' CD1' ' O ' ' A' ' 69' ' ' GLN . 0.3 OUTLIER -121.95 25.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -130.71 2.02 5.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.417 ' O ' ' OE1' ' A' ' 76' ' ' GLU . . . 70.48 -61.13 0.87 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 45' ' ' ILE . 5.9 mm-40 -139.89 148.13 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.765 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.84 125.04 51.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.895 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -119.79 161.28 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.774 HG22 ' CE2' ' A' ' 101' ' ' PHE . 10.2 p -171.2 119.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.381 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 110' ' ' LEU . 21.6 p -123.77 -165.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' CYS . . . 74.41 37.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.599 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.5 tp -59.72 171.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.448 ' CB ' ' HB ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -152.39 153.22 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -10.57 21.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.68 34.12 4.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG21 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -149.01 -36.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.599 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.94 -12.17 61.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.355 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -71.82 -21.4 61.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD22 ' OG ' ' A' ' 57' ' ' SER . 11.5 mt -68.79 -45.34 71.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.629 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 21.8 m-85 -84.04 -19.3 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -73.54 -35.68 65.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 ttt -88.51 -29.62 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -67.13 -35.95 80.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.123 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.49 0.32 72.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 2.7 tp -99.71 10.91 40.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.08 -34.19 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -63.0 -21.47 66.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.734 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -79.92 -17.93 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.491 1.12 . . . . 0.0 109.371 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 19.0 mm -111.33 -12.85 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.494 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 31.57 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.3 t80 -102.45 168.88 9.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.572 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -136.64 -148.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.9 ' O ' ' N ' ' A' ' 105' ' ' GLU . 25.8 mt-30 -145.73 85.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.756 ' O ' ' N ' ' A' ' 107' ' ' GLN . 34.0 t 48.69 -62.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.9 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.6 OUTLIER -33.76 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.576 ' NE2' HG22 ' A' ' 78' ' ' VAL . 5.7 tt0 -63.7 -8.76 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.2 pp0? -35.65 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.4 -48.78 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -63.35 -21.74 66.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 80' ' ' CYS . 22.0 mt -47.46 -45.55 26.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.029 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.9 OUTLIER -58.19 -0.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.495 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.02 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 101.43 17.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 51.71 18.42 4.0 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.27 79.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 0.8 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 1.029 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 160.73 97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.458 ' O ' ' O ' ' A' ' 2' ' ' LEU . 15.3 m . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.046 -0.354 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.845 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 21.6 tp 59.86 138.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.842 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -107.65 -142.96 10.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.67 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 169.05 139.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -152.62 141.0 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.686 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -137.36 139.18 40.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.663 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -144.51 157.09 44.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.7 147.63 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.747 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -156.3 106.85 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.608 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 64.88 -27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.69 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 158.52 -5.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.5 p -85.61 123.98 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -98.27 101.28 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.787 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -73.61 130.88 40.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 108.299 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.4 mp -121.69 97.11 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.179 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -94.4 105.88 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -100.27 129.35 46.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.842 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.76 113.83 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.845 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 157.18 -118.46 0.84 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.47 161.55 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.84 82.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 1.018 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p30 -142.18 175.32 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' N ' ' CB ' ' A' ' 58' ' ' SER . 4.0 p80 -47.11 -26.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' HB2' ' OD1' ' A' ' 22' ' ' ASP . 9.1 m80 -72.67 -53.13 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.645 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.018 HG23 ' OD1' ' A' ' 22' ' ' ASP . 3.4 p -79.38 -29.27 42.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.8 -16.07 63.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -72.23 -51.15 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.423 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -45.61 -47.25 14.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 62' ' ' VAL . 0.3 OUTLIER -67.98 -29.23 68.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -47.75 -42.54 25.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -78.21 -29.28 48.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HB3' HD22 ' A' ' 29' ' ' LEU . 10.1 tptt -67.87 -8.79 39.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 29' ' ' LEU . 15.4 t -83.68 -51.81 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -54.8 -42.09 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -58.81 -43.22 90.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -77.71 -25.18 49.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG12 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.54 -34.14 24.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.404 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -162.63 73.73 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 1.1 ttpt -71.51 -47.22 56.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.476 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.1 m-20 165.33 -92.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 42' ' ' ILE . 24.6 t70 -78.56 -115.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.844 ' CD1' HG22 ' A' ' 73' ' ' ILE . 2.5 mm -148.69 82.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -78.54 -166.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.109 ' CD2' HD22 ' A' ' 112' ' ' LEU . 48.0 m-70 -130.93 159.03 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.602 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.216 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.39 157.71 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.861 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.62 84.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' O ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -82.6 155.87 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.432 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 1.2 p30 -178.19 110.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -105.89 126.03 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.39 -22.71 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.709 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 27.5 t0 -105.1 67.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.2 tm? -92.09 124.32 36.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 6.5 t -135.22 -88.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -62.9 -62.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.989 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.8 93.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.748 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.4 t0 -109.05 -168.21 1.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 78.0 p -89.07 13.17 13.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.593 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -68.15 -47.64 67.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.511 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -86.95 -8.48 75.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.661 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.75 -42.99 58.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.03 -34.3 27.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.833 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.92 -23.67 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -93.07 -35.04 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD21 HG21 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -71.14 -40.37 71.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -23.34 68.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.904 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -86.5 -50.12 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.2 t80 -39.18 -44.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.5 OUTLIER -75.74 -29.86 59.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.604 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -75.9 -50.53 14.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.904 HG22 ' O ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -54.32 -43.01 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -75.19 -20.47 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -71.37 -20.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.844 HG22 ' CD1' ' A' ' 42' ' ' ILE . 4.0 mt -77.76 -41.03 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.45 34.6 0.86 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -127.17 -140.14 5.1 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.786 ' O ' HD12 ' A' ' 45' ' ' ILE . 10.9 mm-40 -142.15 146.62 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.713 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -117.84 122.3 43.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.903 HG12 HD23 ' A' ' 110' ' ' LEU . 22.0 t -128.61 148.2 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.689 HG22 ' CE2' ' A' ' 101' ' ' PHE . 5.1 p -147.12 134.6 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.884 ' SG ' HD11 ' A' ' 110' ' ' LEU . 8.0 p -124.05 -165.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.96 56.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.631 HG22 ' HA ' ' A' ' 103' ' ' GLN . 1.1 tp -83.83 176.85 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.76 156.13 11.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -0.03 9.46 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -135.24 24.26 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.989 HG22 ' SD ' ' A' ' 55' ' ' MET . 9.1 t -135.09 -38.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.602 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.53 -14.2 62.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.231 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.36 -26.24 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 89' ' ' LEU . 5.9 mt -64.58 -44.3 91.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.669 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 24.7 m-85 -87.65 -21.31 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -72.35 -34.88 68.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.4 ttm -83.83 -34.47 24.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 t -66.18 -35.05 79.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.62 8.35 86.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.501 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -106.72 10.01 31.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -49.1 -33.61 12.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -63.12 -22.44 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -81.41 -13.6 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.7 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 18.4 mm -115.07 -12.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 2.2 ttt85 31.57 83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.361 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.8 t80 -101.81 172.96 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -141.25 -142.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.883 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -153.41 91.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' ' 107' ' ' GLN . 14.3 t 48.38 -65.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.919 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.3 tt0 -34.22 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.637 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.2 tt0 -64.64 -8.93 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.792 ' HA ' HD12 ' A' ' 110' ' ' LEU . 20.7 tt0 -38.11 -29.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.87 -40.18 16.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.637 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -66.85 -29.13 68.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.903 HD23 HG12 ' A' ' 78' ' ' VAL . 99.3 mt -47.99 -43.19 29.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.006 ' O ' HD23 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -56.96 -3.38 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.477 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.109 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.9 20.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.637 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 69.7 1.23 29.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.744 HG12 ' H ' ' A' ' 115' ' ' ALA . 5.1 t -123.81 -138.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.998 ' HB3' HG23 ' A' ' 111' ' ' THR . . . 34.01 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 114' ' ' VAL . 4.8 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.048 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.485 ' O ' ' C ' ' A' ' 2' ' ' LEU . 68.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.911 HD13 ' HB ' ' A' ' 25' ' ' THR . 0.6 OUTLIER -33.11 137.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.791 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.47 -151.65 21.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 171.48 141.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.614 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.5 OUTLIER -154.21 143.97 21.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.0 mtm -135.4 143.38 45.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.368 1.042 . . . . 0.0 111.057 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.946 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -146.82 169.97 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -136.78 142.97 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.718 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -149.57 104.07 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.7 tt0 63.17 -29.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.718 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.41 -3.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.9 p -95.19 119.05 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -94.96 109.65 21.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -75.47 127.5 33.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.657 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.2 mp -113.46 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.614 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -89.5 109.83 20.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -113.46 134.48 54.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.791 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.1 p -124.72 114.85 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.745 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 159.88 -121.82 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HG2' ' CB ' ' A' ' 54' ' ' PHE . 1.6 mt-10 -123.7 159.79 28.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.742 HD23 ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -118.83 94.39 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.294 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -139.86 172.85 12.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.692 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.7 p80 -57.53 -15.57 7.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.692 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 57.7 m-70 -97.31 -38.58 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.911 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -82.72 -31.11 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -70.32 -32.99 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -54.96 -51.7 65.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -44.27 -47.55 9.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.9 tp -68.05 -30.34 69.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -44.87 -44.09 9.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 1.043 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.18 -32.29 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.657 ' HE2' HD11 ' A' ' 15' ' ' ILE . 3.9 tptt -70.78 -17.36 62.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.6 t -86.82 -47.04 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 31' ' ' GLN . 9.1 t -43.91 -31.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 14.2 mt-30 -68.02 -46.49 71.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -25.09 41.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.048 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.743 HD13 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -54.43 -32.96 58.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -161.09 68.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.688 ' HZ3' ' HG2' ' A' ' 43' ' ' ARG . 5.2 ptmt -73.28 -47.43 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.3 m-20 175.66 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -75.88 -116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.102 ' CD1' HG22 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -146.68 87.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.24 -167.15 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.977 ' CE1' HD22 ' A' ' 112' ' ' LEU . 41.5 m-70 -126.59 157.56 38.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.156 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -106.18 161.24 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.919 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -158.61 84.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 79' ' ' VAL . 4.4 mt -84.62 153.65 23.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.642 ' HB3' HD11 ' A' ' 110' ' ' LEU . 2.1 p30 -179.36 108.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.918 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -110.28 116.47 31.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 -20.78 26.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.616 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 30.8 t0 -103.55 66.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 55' ' ' MET . 3.3 tm? -86.88 109.03 19.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' N ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -112.34 -86.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.03 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 60.7 t80 -69.99 -78.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.956 ' HE3' ' HA ' ' A' ' 55' ' ' MET . 1.8 tpt 46.85 87.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.807 ' HA ' HD11 ' A' ' 89' ' ' LEU . 10.1 t0 -117.32 -151.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.505 ' N ' HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -91.19 28.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.535 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -94.57 -38.41 10.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.09 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -103.27 -10.91 35.16 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.54 -55.07 14.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.29 -31.3 69.35 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -68.15 -21.03 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.574 HD12 HG12 ' A' ' 62' ' ' VAL . 1.3 mp -102.4 -37.89 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HA ' HD11 ' A' ' 99' ' ' ILE . 1.8 tt -72.22 -37.46 69.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.25 -12.11 65.37 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.938 ' CD ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.24 -41.79 8.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 0.773 . . . . 0.0 110.268 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.773 ' CD2' ' CG ' ' A' ' 77' ' ' MET . 1.8 t80 -44.96 -42.66 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.56 -27.2 58.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.715 ' HG2' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -75.02 -45.07 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.248 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.979 ' HA ' HD12 ' A' ' 73' ' ' ILE . 7.2 tp -58.15 -37.55 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -74.31 -24.86 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -79.75 -21.3 44.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.102 HG22 ' CD1' ' A' ' 42' ' ' ILE . 6.4 mt -82.19 -36.5 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.03 23.59 2.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -133.57 -141.55 4.57 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -158.32 158.05 33.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 0.719 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.907 ' HB3' HG21 ' A' ' 70' ' ' ILE . 1.3 ppp? -120.32 133.68 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.905 ' N ' HD11 ' A' ' 45' ' ' ILE . 65.5 t -127.2 135.51 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.004 HG22 ' CZ ' ' A' ' 101' ' ' PHE . 3.0 p -133.08 128.47 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 31.3 p -131.18 -170.45 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.918 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 74.18 30.61 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' CE1' ' A' ' 101' ' ' PHE . 5.3 tp -59.32 -147.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.792 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -179.63 165.53 0.89 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.951 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 18.3 Cg_endo -75.02 -8.13 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.76 29.98 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.821 ' CG2' HD11 ' A' ' 52' ' ' LEU . 1.7 t -142.07 -37.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.297 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.514 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.32 -13.75 62.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -69.35 -26.23 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER -60.66 -46.84 88.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.727 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 19.8 m-85 -84.61 -22.68 29.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -74.09 -34.0 63.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 mtp -76.51 -42.08 44.61 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -49.6 65.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.92 -6.06 59.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.15 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.538 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 4.0 tp -87.04 9.19 20.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.48 -33.33 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -22.63 66.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.649 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -84.87 -9.63 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.715 HD11 ' HA ' ' A' ' 64' ' ' LEU . 46.3 mm -116.39 -14.05 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 30.47 87.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 1.004 ' CZ ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -103.94 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.604 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -151.24 -146.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.858 ' O ' ' N ' ' A' ' 105' ' ' GLU . 91.0 mt-30 -157.0 95.35 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.769 ' O ' ' N ' ' A' ' 107' ' ' GLN . 23.9 t 50.76 -63.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.858 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.9 tt0 -35.62 -31.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.615 ' OE1' HG13 ' A' ' 78' ' ' VAL . 3.7 tt0 -66.59 -7.44 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -34.6 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.44 -51.41 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 106' ' ' GLN . 0.3 OUTLIER -64.19 -21.57 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.801 HD21 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.56 -42.19 64.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.016 HG21 ' HB3' ' A' ' 115' ' ' ALA . 0.6 OUTLIER -57.12 -4.74 0.21 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.977 HD22 ' CE1' ' A' ' 44' ' ' HIS . 1.3 tt 97.93 26.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.1 17.02 50.82 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.924 ' CG2' HD23 ' A' ' 112' ' ' LEU . 2.3 t -112.23 -144.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 1.016 ' HB3' HG21 ' A' ' 111' ' ' THR . . . 34.5 36.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 114' ' ' VAL . 1.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.82 ' HA ' ' HA3' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -83.56 140.17 32.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.853 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -100.01 -157.25 28.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 178.74 130.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.476 ' C ' ' HG3' ' A' ' 6' ' ' MET . 0.4 OUTLIER -142.0 141.13 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.675 ' HG2' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -137.69 134.82 35.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -140.38 166.36 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.666 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -132.67 143.03 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.73 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -144.89 104.92 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' ' OG ' ' A' ' 11' ' ' SER . 4.6 tt0 63.28 -28.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 164.35 -3.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.912 ' CG2' HG23 ' A' ' 46' ' ' VAL . 8.1 p -88.27 122.47 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.212 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.739 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.63 104.67 16.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' HG12 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.58 144.86 47.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.675 ' CD1' ' HG2' ' A' ' 6' ' ' MET . 9.0 mm -134.67 90.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' NE ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -92.03 106.55 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.27 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD12 HD11 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -103.46 127.33 50.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -125.72 113.87 17.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.82 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.66 -116.66 0.74 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' C ' HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -122.7 161.19 24.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.734 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -118.63 91.9 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -151.54 170.68 19.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -45.12 -27.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -74.29 -49.42 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.703 ' HA ' HD22 ' A' ' 2' ' ' LEU . 1.2 p -81.77 -30.51 32.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -62.4 -14.2 37.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -67.99 -47.81 67.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.655 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -42.79 -43.67 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.35 -30.5 60.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tptt -51.11 -47.14 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 34' ' ' THR . 11.8 pt20 -67.92 -33.36 74.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.215 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 29' ' ' LEU . 42.1 tptt -68.34 -14.46 63.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.6 t -63.99 -62.74 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.972 HG23 ' NE2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -49.33 -39.79 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.972 ' NE2' HG23 ' A' ' 34' ' ' THR . 12.9 mm-40 -62.58 -46.09 89.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.455 ' OG ' HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -75.99 -25.57 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.8 mt -47.91 -41.32 24.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.28 78.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.23 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -70.19 -47.23 62.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 8.1 m-20 176.5 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 39.4 t0 -79.16 -107.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.969 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.9 mm -151.63 87.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HE ' HD23 ' A' ' 13' ' ' LEU . 1.8 mtm-85 -81.14 -166.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.794 ' CG ' HD22 ' A' ' 112' ' ' LEU . 52.7 m-70 -130.99 159.83 36.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.6 159.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.912 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -157.91 82.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.7 ' O ' HD21 ' A' ' 110' ' ' LEU . 1.2 mp -82.58 154.08 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' HB2' HD11 ' A' ' 110' ' ' LEU . 3.4 t30 -177.7 107.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.794 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -108.06 121.82 45.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -22.62 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 29.4 t0 -104.03 65.93 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.867 HD11 ' HE2' ' A' ' 55' ' ' MET . 1.0 OUTLIER -93.62 126.75 38.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.348 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.679 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.4 t -137.31 -88.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.707 ' CZ ' ' HB2' ' A' ' 56' ' ' ASP . 0.7 OUTLIER -60.27 -65.66 0.65 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.944 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.958 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 40.04 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.707 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -104.24 -159.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 6.0 p -97.01 22.51 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.592 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 1.3 m -77.82 -59.06 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -18.51 79.64 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.587 1.179 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.52 -44.04 56.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.47 -32.62 30.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.497 ' O ' ' NE ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -67.78 -21.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.231 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 99' ' ' ILE . 1.5 mt -94.94 -35.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -71.17 -45.8 62.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.736 ' HA3' HH21 ' A' ' 66' ' ' ARG . . . -64.2 -14.98 58.04 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.756 ' HE ' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -100.04 -44.69 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 0.731 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.704 ' CD1' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -42.01 -35.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.796 ' CD ' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -77.09 -37.72 53.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -70.03 -49.97 45.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' CG2' ' CG ' ' A' ' 77' ' ' MET . 7.3 tp -54.93 -32.44 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' CG ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -76.65 -36.61 57.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.697 ' HG2' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -61.55 -12.7 16.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.969 ' O ' HD11 ' A' ' 42' ' ' ILE . 3.1 mm -78.87 -36.32 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.04 39.74 1.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -132.68 -141.33 4.61 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.666 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -149.99 150.97 32.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.671 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.75 126.33 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 112' ' ' LEU . 59.2 t -131.38 130.91 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.777 HG13 ' CD2' ' A' ' 101' ' ' PHE . 7.6 p -138.0 134.63 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 26.6 p -125.83 -167.18 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.69 48.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.757 HD11 ' CB ' ' A' ' 87' ' ' LYS . 3.7 tp -73.36 170.43 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.48 156.72 30.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -0.78 10.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.74 29.29 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' SD ' ' A' ' 55' ' ' MET . 8.3 t -142.22 -38.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.757 ' CB ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -73.61 -10.94 60.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -70.96 -15.69 62.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 2.2 mt -74.33 -45.27 48.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.839 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 39.3 m-85 -85.06 -20.39 30.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -70.09 -34.66 73.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.5 mtp -89.78 -27.82 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -66.72 -26.87 67.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.39 15.7 59.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.903 HD13 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -121.2 11.57 10.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -44.64 -27.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -63.11 -23.41 67.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.903 HG21 HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -85.34 -5.94 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.668 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 36.7 mm -114.63 -15.77 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.62 81.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.777 ' CD2' HG13 ' A' ' 79' ' ' VAL . 1.4 t80 -105.68 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -137.81 -147.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 13.1 mt-30 -150.34 90.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 32.5 t 47.34 -65.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 3.5 tt0 -33.18 -32.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.63 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 8.2 tt0 -61.61 -10.68 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 8.5 pt20 -34.18 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -88.11 -51.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.558 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -62.14 -20.62 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -48.89 -44.13 39.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.628 1.205 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.698 ' O ' ' HB3' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -54.83 -5.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.884 ' HA ' HG21 ' A' ' 78' ' ' VAL . 2.2 tt 96.29 28.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.558 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 40.72 27.05 0.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 114' ' ' VAL . 6.7 t -136.88 70.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 158.95 98.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.9 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.483 ' O ' ' C ' ' A' ' 2' ' ' LEU . 41.0 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.822 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 tp -34.21 135.74 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.389 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.817 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -110.59 -152.57 13.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 176.19 135.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -145.51 141.59 28.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.655 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 88.6 mtp -135.09 137.94 43.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -143.71 151.98 40.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.55 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -122.68 136.01 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.795 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -141.42 106.06 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' O ' ' OG ' ' A' ' 11' ' ' SER . 2.0 tt0 64.02 -27.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.71 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 160.27 -5.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.886 ' CG2' HG23 ' A' ' 46' ' ' VAL . 11.3 p -86.12 122.25 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -94.49 101.52 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.36 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.756 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -76.08 129.55 36.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.5 mp -120.79 97.25 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 1.4 ttt180 -92.38 100.0 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 4' ' ' ILE . 1.2 mm? -92.87 129.42 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.817 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -127.75 113.78 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 151.5 -118.56 0.91 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -124.34 163.89 20.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.885 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -125.47 86.05 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.666 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -132.35 171.28 13.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.685 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.6 p80 -53.85 -16.94 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.555 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.685 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 56.4 m-70 -96.1 -40.85 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.822 ' HB ' HD13 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -83.69 -18.25 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -74.0 -34.97 64.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -45.04 -50.03 11.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -45.02 -44.11 9.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.081 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -75.04 -29.77 60.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -50.53 -46.44 57.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.233 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.545 ' O ' ' CG2' ' A' ' 34' ' ' THR . 13.2 pt20 -71.5 -35.04 70.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HB3' HD13 ' A' ' 29' ' ' LEU . 11.5 tptt -72.24 -11.75 60.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.081 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.0 t -86.16 -52.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -47.47 -37.25 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.1 pp0? -56.73 -36.91 70.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -78.43 -30.14 47.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -45.18 -36.84 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 24.0 mt-10 -162.74 75.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.19 -49.37 44.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 2.7 m-20 161.44 -90.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 23.5 t70 -77.06 -114.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.074 HD11 ' O ' ' A' ' 73' ' ' ILE . 1.8 mm -150.11 81.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' SER . 2.0 mpt_? -80.56 -165.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.895 ' CE1' HD22 ' A' ' 112' ' ' LEU . 44.2 m-70 -134.43 159.0 42.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.633 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.716 HD12 ' H ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.27 160.0 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.886 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.3 t -157.68 81.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.387 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.733 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -80.68 153.13 28.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 81' ' ' ALA . 3.4 t30 -179.91 106.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.904 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.72 120.06 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.14 -22.3 20.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 17.1 t70 -117.72 64.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.881 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -90.32 114.67 26.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.1 t -125.75 -93.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.925 ' O ' ' HE3' ' A' ' 55' ' ' MET . 58.0 t80 -47.74 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 1.019 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 36.59 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.944 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -116.27 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 15.3 p -91.09 28.32 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.466 ' CB ' ' H ' ' A' ' 23' ' ' HIS . 1.9 m -98.6 -23.39 15.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 21' ' ' LEU . . . -128.15 -2.05 6.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.106 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -51.33 -48.72 62.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.16 -42.21 81.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.536 HG12 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -56.65 -21.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.793 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.728 HG23 HH22 ' A' ' 66' ' ' ARG . 6.1 mm -78.44 -35.53 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.856 HD21 HD23 ' A' ' 95' ' ' LEU . 1.1 tp -76.48 -15.83 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.44 -26.72 56.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.728 HH22 HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -80.86 -32.84 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.217 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.798 ' CG ' ' O ' ' A' ' 98' ' ' ILE . 4.6 t80 -62.83 -46.89 85.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 2.4 mmmt -81.39 0.88 35.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.834 ' O ' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -92.97 -34.9 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 45' ' ' ILE . 7.4 tp -93.92 -27.07 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -78.07 -30.19 49.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 73' ' ' ILE . 2.6 tt0 -69.24 -27.55 65.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.074 ' O ' HD11 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -77.96 -28.84 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 18.11 6.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.448 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . -105.98 -134.11 7.71 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.727 ' CG ' HD21 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -154.21 153.26 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.344 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.7 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 6.7 tpt -113.34 128.74 56.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.923 HG11 ' HA ' ' A' ' 110' ' ' LEU . 44.4 t -128.09 149.11 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 2.2 t -151.86 139.6 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 19.2 p -146.63 -168.87 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 108.277 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.904 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 81.07 23.61 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.702 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 2.5 tp -70.03 -167.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.647 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -163.03 174.06 3.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 83' ' ' SER . 18.2 Cg_endo -75.0 -10.74 21.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' O ' ' NE ' ' A' ' 88' ' ' ARG . . . -127.5 22.26 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.019 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.5 t -136.03 -35.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . 17.9 ttpt -71.87 -14.61 62.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -65.39 -26.28 67.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD12 ' SD ' ' A' ' 55' ' ' MET . 3.8 mt -59.58 -45.96 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.692 ' HB3' ' CD1' ' A' ' 96' ' ' PHE . 32.8 m-85 -87.23 -27.09 23.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -68.97 -33.7 74.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.085 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.1 ttm -82.56 -35.54 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -54.79 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.01 65.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.856 HD23 HD21 ' A' ' 64' ' ' LEU . 6.9 tp -84.59 12.48 6.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 0.756 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.698 ' CE1' ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -56.37 -22.55 31.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -63.47 -26.65 68.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.798 ' O ' ' CG ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -99.26 11.72 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.658 HD11 HD12 ' A' ' 64' ' ' LEU . 7.4 mm -124.93 -18.71 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.491 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER 31.24 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.702 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -111.26 171.64 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -146.69 -147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.892 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.6 mt-30 -149.08 88.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.826 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.2 t 48.2 -62.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.892 ' N ' ' O ' ' A' ' 103' ' ' GLN . 9.1 tt0 -33.82 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 108' ' ' ALA . 9.3 tt0 -68.42 -5.66 20.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 104' ' ' SER . 28.7 tt0 -32.61 -31.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -87.94 -51.63 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.658 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -65.13 -18.7 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.923 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -56.45 -37.5 70.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.881 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.7 OUTLIER -56.2 -5.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.895 HD22 ' CE1' ' A' ' 44' ' ' HIS . 2.6 tt 98.16 26.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.658 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 42.42 26.63 0.4 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.738 ' O ' ' HB2' ' A' ' 115' ' ' ALA . 38.3 t -142.39 68.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.881 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 159.25 95.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -162.52 141.98 9.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.823 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -86.0 -157.83 29.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.728 HG12 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER 177.95 133.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -149.15 141.63 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.693 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -136.46 138.62 41.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.772 ' HB3' ' HZ3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -143.44 142.2 31.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -111.4 136.61 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.772 ' HZ3' ' HB3' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -139.87 104.09 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.237 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.588 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.5 tt0 64.03 -29.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.702 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 163.95 -3.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.894 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.4 p -88.25 119.37 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.6 97.73 10.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.743 ' N ' ' O ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -69.86 139.6 53.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.35 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 6' ' ' MET . 0.8 OUTLIER -129.02 102.54 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -102.22 99.64 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 2' ' ' LEU . 6.2 mt -100.04 131.21 46.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.588 1.18 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.823 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -128.05 115.46 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 110.383 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.713 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 156.65 -119.59 0.92 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.73 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -123.04 157.91 31.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.663 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -160.57 170.87 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' N ' ' CB ' ' A' ' 58' ' ' SER . 2.9 p80 -44.03 -26.25 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.534 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.43 ' N ' ' C ' ' A' ' 22' ' ' ASP . 9.5 m80 -75.11 -55.36 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.61 -29.01 40.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -69.11 -14.77 63.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -76.2 -49.99 15.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.2 m -48.63 -44.48 37.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 110.491 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.057 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.5 tm? -71.45 -25.66 62.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.94 -44.1 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER -76.11 -33.85 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 29' ' ' LEU . 2.6 tptt -69.98 -8.15 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 29' ' ' LEU . 81.0 t -85.62 -51.22 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.626 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.49 -40.08 65.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 2.8 pp0? -61.06 -45.39 94.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.432 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.69 -24.27 45.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.955 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -50.49 -36.08 32.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.388 1.055 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 40.1 mt-10 -161.66 73.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.79 -45.55 61.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 5.6 m-20 177.25 -95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.75 -143.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -109.99 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.595 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -84.49 -166.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.785 ' ND1' HD13 ' A' ' 112' ' ' LEU . 26.6 m-70 -133.17 156.82 46.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.427 1.079 . . . . 0.0 109.67 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.157 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.24 155.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.894 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.94 85.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' C ' ' CG ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -82.69 152.74 25.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' CG ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -175.12 107.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -105.67 123.02 47.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -21.96 17.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 44.1 t0 -120.86 66.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.829 HD12 ' CG2' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -99.42 104.66 16.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.9 t -124.3 -87.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -46.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.878 ' SD ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER 35.43 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.806 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 2.6 t70 -94.08 -154.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 2.7 p -92.76 17.91 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.958 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.572 ' CB ' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -81.63 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 63' ' ' ILE . . . -72.96 -16.98 78.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.77 -44.12 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.44 -32.45 34.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.489 HG13 HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -66.29 -24.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -89.28 -35.62 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.905 HD21 HD23 ' A' ' 95' ' ' LEU . 2.4 tp -67.27 -43.2 82.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -56.46 -21.16 33.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.905 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -90.66 -47.36 7.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 0.795 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HD12 ' A' ' 98' ' ' ILE . 3.1 t80 -40.92 -26.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' A' ' 98' ' ' ILE . 6.7 mmmt -108.96 -25.45 10.73 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.571 ' HG2' HD11 ' A' ' 37' ' ' LEU . 3.0 tp-100 -96.58 -13.5 22.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.905 HG22 ' O ' ' A' ' 66' ' ' ARG . 8.6 tp -98.46 -30.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HG2' ' HA ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -76.84 -23.55 52.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.59 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.5 OUTLIER -75.65 -31.91 59.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.404 1.065 . . . . 0.0 110.223 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -133.47 32.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.585 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -146.56 14.7 1.6 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 65.41 -63.0 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.852 ' O ' HD12 ' A' ' 45' ' ' ILE . 2.3 mm-40 -151.99 151.43 31.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 0.712 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.897 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.58 120.34 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.053 HG11 ' HA ' ' A' ' 110' ' ' LEU . 57.7 t -128.3 149.06 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.103 HG21 ' CE2' ' A' ' 101' ' ' PHE . 2.2 p -145.36 138.33 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 27.6 p -128.3 -174.15 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.295 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 67.6 80.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.789 HD13 ' CD1' ' A' ' 101' ' ' PHE . 5.9 tp -112.66 169.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.1 162.86 25.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -0.98 10.62 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.25 33.89 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.829 ' CG2' HD12 ' A' ' 52' ' ' LEU . 3.1 t -147.45 -36.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -78.74 -4.68 50.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.596 ' NE ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -79.06 -17.57 55.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.878 HD13 ' SD ' ' A' ' 55' ' ' MET . 0.2 OUTLIER -69.7 -45.58 67.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CE2' HD21 ' A' ' 60' ' ' LEU . 26.6 m-85 -82.81 -22.67 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -66.4 -34.89 78.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 8.2 ttp -82.63 -31.94 28.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -67.53 -56.36 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.68 54.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.905 HD23 HD21 ' A' ' 64' ' ' LEU . 7.5 tp -88.91 12.84 14.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 0.733 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -54.39 -24.24 18.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -26.73 68.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.872 HD13 ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -99.48 12.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 100' ' ' ARG . 9.2 mm -125.15 -23.95 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.593 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER 21.86 83.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 1.103 ' CE2' HG21 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -103.08 -177.34 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.616 ' O ' ' CD ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER 72.39 134.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.616 ' CD ' ' O ' ' A' ' 102' ' ' GLU . 13.6 mm-40 -161.23 -52.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t 50.16 -85.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 103' ' ' GLN . 12.8 tt0 -74.47 -25.42 59.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' ALA . 8.2 tt0 -74.08 -6.24 46.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' GLN . 11.0 pt20 -35.44 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.25 -57.5 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -59.15 -15.35 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 1.19 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.053 ' HA ' HG11 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -63.6 -26.43 68.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.822 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . 0.9 OUTLIER -56.79 -5.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.426 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.03 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.2 tt 98.98 26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.554 ' CA ' HD23 ' A' ' 109' ' ' LEU . . . 45.57 29.76 2.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.775 HG11 ' NE2' ' A' ' 44' ' ' HIS . 20.9 t -126.88 67.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 169.49 93.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 179.989 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.653 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 2.9 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.01 HD12 ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER 151.57 141.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.891 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -118.16 -173.42 16.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -177.29 131.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -142.58 141.56 32.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.357 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.697 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 5.3 mtt -133.75 134.21 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -138.43 161.93 35.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -128.58 135.83 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.725 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -138.28 105.47 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.4 tt0 63.19 -28.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.336 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 163.36 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.992 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.942 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -88.0 126.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -97.3 100.66 12.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.893 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -72.82 139.82 47.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.921 HD11 ' HE2' ' A' ' 32' ' ' LYS . 1.5 mp -130.58 97.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -95.77 102.51 14.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.209 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -100.77 130.41 46.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.891 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -130.12 112.56 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.779 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 152.59 -114.0 0.61 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.32 159.14 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.28 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -122.09 82.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.646 ' OD2' ' CD2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -136.27 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.761 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -51.49 -18.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.65 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.761 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.7 m-70 -87.06 -46.17 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.01 ' HB ' HD12 ' A' ' 2' ' ' LEU . 3.7 p -79.56 -34.45 40.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -58.52 -26.57 63.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.81 -52.75 38.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.374 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.488 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -45.5 -42.83 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -72.41 -30.11 64.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -52.94 -46.64 68.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.632 ' O ' HG22 ' A' ' 34' ' ' THR . 16.6 pt20 -73.21 -34.24 65.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.261 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.921 ' HE2' HD11 ' A' ' 15' ' ' ILE . 23.1 tptt -67.99 -9.56 46.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.9 t -83.63 -51.0 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -55.2 -41.94 72.65 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 4.0 pp0? -59.64 -43.67 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -78.08 -23.13 48.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -51.45 -32.27 26.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' OE2' ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -160.61 74.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.261 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.772 ' HZ2' HG12 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -71.8 -41.31 68.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' H ' ' CE ' ' A' ' 39' ' ' LYS . 2.6 m-20 156.24 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 16.6 t70 -83.72 -107.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.562 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 1.1 mm -147.01 125.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -116.3 -167.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.731 ' N ' ' O ' ' A' ' 11' ' ' SER . 32.4 m-70 -133.83 159.76 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.194 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -99.3 155.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.942 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.4 t -158.66 84.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' H ' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.79 153.5 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 1.7 p30 -179.4 102.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -103.21 126.15 50.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.76 -22.71 15.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.244 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 62.8 t0 -122.4 66.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.047 HD22 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -95.78 111.22 23.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.464 ' O ' ' HE2' ' A' ' 55' ' ' MET . 15.4 t -125.2 -93.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.868 ' O ' ' HE3' ' A' ' 55' ' ' MET . 48.4 t80 -41.4 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.991 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 34.3 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 1.5 t70 -109.92 -152.45 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 22.9 p -95.17 29.55 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.573 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -92.1 -50.5 5.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.402 1.064 . . . . 0.0 109.984 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.65 ' HA3' HD21 ' A' ' 21' ' ' LEU . . . -98.46 -9.44 53.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -50.64 -44.27 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.22 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.05 -35.05 45.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -62.29 -23.18 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -89.09 -34.58 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.883 HD11 ' CG2' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -67.21 -45.25 77.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.04 -21.69 39.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.982 ' CD ' HG22 ' A' ' 33' ' ' VAL . 1.6 ttp85 -88.91 -50.2 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 0.781 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.739 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 1.7 t80 -39.33 -32.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HE2' HD11 ' A' ' 98' ' ' ILE . 1.6 mmtt -87.31 -40.43 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.79 ' O ' HG22 ' A' ' 73' ' ' ILE . 23.6 tp60 -85.08 -17.11 38.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.865 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.1 tp -97.38 -9.59 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' CG ' ' CG ' ' A' ' 77' ' ' MET . 9.7 mtpt -80.78 -54.86 5.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.58 -16.68 50.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -109.98 -51.91 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.633 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -74.98 -1.25 62.3 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . 62.42 -57.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 45' ' ' ILE . 16.6 mm-40 -125.65 151.41 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -106.16 126.48 52.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.912 ' N ' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -126.8 157.57 37.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.665 HG13 ' CD2' ' A' ' 101' ' ' PHE . 8.4 p -174.23 119.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.947 ' SG ' HD11 ' A' ' 110' ' ' LEU . 30.0 p -119.95 -166.69 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 69.91 51.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.684 HD11 ' HB3' ' A' ' 87' ' ' LYS . 5.4 tp -79.68 169.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.91 154.06 25.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.98 13.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.31 27.27 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.991 HG22 ' CE ' ' A' ' 55' ' ' MET . 3.0 t -141.29 -35.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.684 ' HB3' HD11 ' A' ' 82' ' ' ILE . 4.4 pttt -70.99 -12.79 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.38 -24.07 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.65 HD12 ' SD ' ' A' ' 55' ' ' MET . 1.2 mt -65.76 -45.42 82.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.76 ' CE1' HD21 ' A' ' 60' ' ' LEU . 46.2 m-85 -85.4 -19.79 30.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -75.21 -34.52 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.3 -36.49 22.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -66.04 -25.38 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.79 5.86 40.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.595 1.184 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 1.6 tp -103.83 10.85 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -46.66 -33.15 4.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.28 -22.49 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.883 ' CG2' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -84.99 -7.83 11.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.863 HD11 HD12 ' A' ' 64' ' ' LEU . 31.1 mm -114.91 -16.77 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.547 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 30.35 88.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.665 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -103.42 168.88 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.588 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -134.81 -145.6 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.933 ' O ' ' N ' ' A' ' 105' ' ' GLU . 78.8 mt-30 -148.2 86.61 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.746 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.8 t 46.6 -63.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -33.59 -32.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.588 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 3.8 tt0 -61.57 -11.93 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.746 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.4 pt20 -33.43 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -82.88 -53.23 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -59.45 -23.29 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.947 HD11 ' SG ' ' A' ' 80' ' ' CYS . 18.4 mt -44.23 -44.7 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.972 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.45 -10.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.408 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.11 23.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.855 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.17 52.76 6.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.046 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 112' ' ' LEU . 0.9 OUTLIER 173.85 88.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.752 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 161.19 94.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.69 HD11 HD23 ' A' ' 17' ' ' LEU . 2.5 tp -145.82 139.17 26.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -98.91 -163.47 29.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.49 138.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -150.95 142.01 23.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 41.0 mtp -129.54 134.87 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER -141.06 141.63 34.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -112.63 138.41 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.722 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -142.76 104.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.599 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.5 tt0 63.47 -25.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 159.52 -5.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.037 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.855 ' CG2' HG23 ' A' ' 46' ' ' VAL . 9.3 p -85.34 123.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 98.21 10.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -73.71 129.8 38.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -119.01 95.2 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -101.25 106.19 17.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -118.98 136.61 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.763 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.7 OUTLIER -122.01 118.81 29.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.685 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 164.86 -127.12 1.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' O ' ' OG1' ' A' ' 25' ' ' THR . 0.2 OUTLIER -121.08 155.29 34.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 0.724 . . . . 0.0 110.239 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD11 HD13 ' A' ' 49' ' ' LEU . 13.1 mt -111.96 90.32 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -144.1 166.9 23.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.472 ' N ' ' HB2' ' A' ' 58' ' ' SER . 2.8 p80 -43.02 -28.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.591 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -74.11 -52.92 11.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.66 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.616 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.3 p -79.75 -29.19 40.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -65.11 -19.0 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -71.1 -46.83 61.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 79.6 m -49.4 -54.41 17.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.917 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -65.0 -15.96 62.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -67.28 -39.12 86.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 0.6 OUTLIER -68.34 -40.82 81.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.917 ' CG ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.8 -11.92 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 29' ' ' LEU . 17.2 t -72.39 -57.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -52.35 -39.64 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' A' ' 32' ' ' LYS . 7.5 mt-30 -63.84 -46.12 86.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.76 ' HB2' HH21 ' A' ' 66' ' ' ARG . 0.2 OUTLIER -75.78 -24.11 55.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.76 HD23 HG12 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -53.17 -33.27 51.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.157 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -163.81 73.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.226 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -73.16 -47.71 41.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 4.3 m-20 172.49 -94.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -81.81 -143.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.686 ' CG2' ' O ' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -114.87 92.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' HA ' ' HB2' ' A' ' 11' ' ' SER . 1.9 mpt_? -86.11 -166.63 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' A' ' 112' ' ' LEU . 34.3 m-70 -130.66 158.11 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.202 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -105.22 156.12 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.219 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.855 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.5 t -160.42 84.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.745 ' O ' HD11 ' A' ' 110' ' ' LEU . 18.6 mt -85.89 154.84 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.526 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -175.7 110.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -97.48 121.81 39.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -22.56 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 21.8 t70 -123.76 66.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.935 HD22 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -91.2 109.04 20.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 t -128.5 -88.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.07 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.864 ' O ' ' HE3' ' A' ' 55' ' ' MET . 68.7 t80 -46.64 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.965 ' CE ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 35.82 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.185 . . . . 0.0 111.007 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.622 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 4.3 t70 -103.79 -148.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -95.08 24.05 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.472 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -88.25 -59.02 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.65 -16.8 69.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.09 -44.29 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.41 -33.01 32.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -66.15 -24.05 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.94 -35.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -59.78 -47.85 84.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -60.41 -36.0 90.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.841 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -69.2 -40.37 78.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 0.788 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.741 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.4 t80 -48.37 -40.99 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.059 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.527 ' CD ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -87.26 -28.0 22.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.611 ' HG2' HD11 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -90.23 -8.27 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.841 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 tp -99.39 -40.98 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -68.99 -24.98 64.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.583 ' HG2' HD11 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -71.62 -35.08 70.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 ' HG2' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -134.02 36.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.645 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -145.36 8.93 1.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' A' ' 76' ' ' GLU . . . 65.56 -62.04 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.917 ' O ' HD12 ' A' ' 45' ' ' ILE . 4.7 mm-40 -143.95 147.1 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.747 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.58 124.95 53.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.886 ' N ' HD11 ' A' ' 45' ' ' ILE . 16.9 t -133.31 154.66 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.83 HG13 ' CD2' ' A' ' 101' ' ' PHE . 14.5 p -154.31 131.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.893 ' SG ' HD22 ' A' ' 110' ' ' LEU . 19.2 p -133.35 -171.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 108.39 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.94 44.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.79 HG23 ' N ' ' A' ' 83' ' ' SER . 4.2 tp -80.66 -145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.79 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 176.18 162.7 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.6 20.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.13 19.49 6.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.965 HG22 ' CE ' ' A' ' 55' ' ' MET . 2.8 t -130.44 -36.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.525 ' CB ' HG12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -70.27 -11.78 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -66.33 -27.28 67.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' C ' ' A' ' 56' ' ' ASP . 1.4 mt -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.768 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 25.1 m-85 -86.52 -23.85 25.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -71.51 -34.44 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 56.5 mtp -85.24 -32.9 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -29.54 68.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 71.04 15.34 74.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.539 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 tp -115.85 10.56 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.739 . . . . 0.0 109.327 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -48.65 -35.83 14.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -60.69 -23.22 64.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.772 ' CG2' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -82.59 -8.79 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.814 HD11 HD22 ' A' ' 64' ' ' LEU . 25.6 mm -118.98 -14.68 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.537 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER 33.22 89.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.597 1.186 . . . . 0.0 110.274 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.83 ' CD2' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -106.75 176.53 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.629 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -147.5 -147.31 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.881 ' O ' ' N ' ' A' ' 105' ' ' GLU . 95.7 mt-30 -153.28 93.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.792 ' O ' ' N ' ' A' ' 107' ' ' GLN . 16.9 t 49.16 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.962 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.881 ' N ' ' O ' ' A' ' 103' ' ' GLN . 1.4 tt0 -34.6 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.629 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 7.3 tt0 -66.39 -10.43 43.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 104' ' ' SER . 14.0 tt0 -34.56 -30.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.5 -53.96 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.6 OUTLIER -63.09 -19.16 64.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.893 HD22 ' SG ' ' A' ' 80' ' ' CYS . 65.0 tp -59.04 -38.81 80.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.985 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -57.8 -7.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.994 HD11 ' O ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER 105.52 23.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.072 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.938 ' O ' HG23 ' A' ' 114' ' ' VAL . . . 44.23 49.28 8.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.994 ' O ' HD11 ' A' ' 112' ' ' LEU . 1.1 t 177.71 85.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 114' ' ' VAL . . . 152.18 96.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.046 -179.933 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.897 HD12 ' HB ' ' A' ' 25' ' ' THR . 7.7 tt 74.77 137.06 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.856 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -123.93 -151.62 8.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 3' ' ' GLY . 0.1 OUTLIER 174.98 142.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -151.12 142.4 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.599 1.187 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.717 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 32.7 mtm -135.24 133.39 38.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.698 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.49 149.97 47.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.552 ' C ' ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -116.49 137.55 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.716 ' C ' ' H ' ' A' ' 11' ' ' SER . 2.3 mtmt -143.11 105.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' OG ' ' A' ' 11' ' ' SER . 3.1 tt0 63.29 -28.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.783 ' O ' ' N ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 160.42 1.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.923 HG21 HG23 ' A' ' 46' ' ' VAL . 8.7 p -96.0 120.21 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.14 101.35 13.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.717 ' O ' ' HA ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -72.86 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 15' ' ' ILE . 1.4 mp -114.89 94.68 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -92.61 97.55 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.7 133.53 35.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.856 ' O ' ' N ' ' A' ' 3' ' ' GLY . 1.3 p -127.33 113.8 16.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 160.53 -121.94 1.08 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.402 1.064 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' CB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -124.75 163.67 21.6 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 0.723 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.761 ' CD2' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -117.84 81.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 1.035 ' OD1' HG23 ' A' ' 25' ' ' THR . 14.6 p30 -142.13 172.45 12.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.801 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.9 p80 -48.89 -25.08 1.71 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.609 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.801 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 74.0 m-70 -77.7 -48.4 16.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.035 HG23 ' OD1' ' A' ' 22' ' ' ASP . 12.1 p -77.59 -36.62 51.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -57.2 -21.54 34.24 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -54.66 -50.22 68.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.335 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.508 ' O ' ' CG ' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -44.59 -45.05 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 63' ' ' ILE . 4.2 tp -72.4 -28.51 63.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.29 -44.71 61.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.709 ' O ' HG22 ' A' ' 34' ' ' THR . 15.1 pt20 -74.57 -36.54 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.7 tptt -52.78 -19.43 2.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 58.5 t -59.48 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -55.66 -40.63 72.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' C ' ' A' ' 31' ' ' GLN . 13.5 mt-30 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.871 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -76.51 -26.03 54.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -48.53 -36.27 15.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 46.5 mm-40 -160.28 78.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -67.59 -51.49 49.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 153.43 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.6 -144.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -130.09 77.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.714 ' CB ' ' O ' ' A' ' 11' ' ' SER . 9.6 mtm-85 -81.17 -162.86 0.53 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.048 ' CD2' HD22 ' A' ' 112' ' ' LEU . 66.0 m-70 -127.97 161.77 28.36 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.25 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -103.07 155.8 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.923 HG23 HG21 ' A' ' 12' ' ' VAL . 1.4 t -160.33 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 110' ' ' LEU . 1.5 mm? -81.93 153.59 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER -177.41 107.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.925 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -105.84 121.17 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -21.88 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.755 ' HB3' ' HA ' ' A' ' 18' ' ' THR . 36.1 t0 -104.24 68.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 52' ' ' LEU . 1.1 tm? -94.93 124.77 39.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.62 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.0 t -135.02 -89.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' HB2' ' A' ' 56' ' ' ASP . 57.3 t80 -58.24 -67.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.995 ' SD ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 39.86 93.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.653 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 3.0 t70 -120.41 -153.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 60' ' ' LEU . 13.2 p -99.73 33.2 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.5 OUTLIER -90.83 -48.84 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.937 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.44 -3.66 59.79 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -50.02 -44.03 51.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.36 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.79 -32.63 40.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.776 HG22 ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -64.5 -24.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.4 0.706 . . . . 0.0 109.359 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -87.8 -35.01 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.227 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.589 HD21 HG21 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -64.64 -45.89 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -70.1 -23.63 77.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.776 ' NH1' HG22 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.74 -28.25 23.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 4.0 t80 -56.38 -49.75 73.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 5.8 mmmm -74.04 -35.1 64.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -71.39 -26.04 62.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.222 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.792 HD12 ' OG ' ' A' ' 36' ' ' SER . 7.9 tp -95.21 -30.34 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.691 ' HB3' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -76.71 -37.48 56.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.549 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -56.02 -37.84 69.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.871 HD13 ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -118.82 19.6 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA3' ' O ' ' A' ' 70' ' ' ILE . . . -126.96 5.58 7.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.28 -57.98 0.17 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.945 ' O ' HD12 ' A' ' 45' ' ' ILE . 8.0 mm-40 -138.45 147.43 43.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.766 ' HA ' HG13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -112.38 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 111.041 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.841 ' H ' HD11 ' A' ' 45' ' ' ILE . 13.8 t -130.28 156.4 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.682 ' CG1' ' CE2' ' A' ' 101' ' ' PHE . 1.7 t -149.12 136.61 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 110' ' ' LEU . 30.0 p -137.51 -171.58 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 108.263 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 73.46 32.6 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.689 HD13 ' CD1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -70.49 -158.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.552 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -174.36 163.39 2.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' O ' ' CZ ' ' A' ' 88' ' ' ARG . . . -137.37 26.8 2.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.995 HG22 ' SD ' ' A' ' 55' ' ' MET . 6.5 t -136.17 -37.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 0.5 OUTLIER -71.23 -10.9 60.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -68.27 -23.33 64.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD11 ' C ' ' A' ' 56' ' ' ASP . 3.6 mt -67.69 -46.29 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 60' ' ' LEU . 14.3 m-85 -86.46 -18.48 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -71.41 -34.24 70.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.395 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 27.6 ttp -86.6 -34.29 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.9 t -66.54 -44.65 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.025 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.76 -11.68 65.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.596 1.185 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HG ' ' CG2' ' A' ' 98' ' ' ILE . 3.0 tp -85.04 9.31 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.586 0.815 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.708 ' CD1' ' CB ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -47.93 -33.57 7.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.95 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.45 -23.09 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.744 ' O ' ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -82.62 -9.96 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.719 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 17.4 mm -118.7 -13.32 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' CB ' ' OH ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 32.41 90.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.689 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -117.29 166.57 12.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.656 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -144.27 -146.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.863 ' O ' ' N ' ' A' ' 105' ' ' GLU . 67.0 mt-30 -144.49 90.52 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 29.0 t 50.44 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 110.054 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.863 ' N ' ' O ' ' A' ' 103' ' ' GLN . 2.1 tt0 -34.82 -31.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.656 ' HB2' ' CB ' ' A' ' 102' ' ' GLU . 4.2 tt0 -67.69 -9.38 43.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 3.2 pt20 -36.03 -29.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -85.02 -51.82 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.657 HD23 ' HA3' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -63.2 -24.14 67.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 47' ' ' LEU . 36.4 tp -54.02 -42.92 69.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.989 ' CG2' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -61.29 0.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.048 HD22 ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 102.17 18.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.657 ' HA3' HD23 ' A' ' 109' ' ' LEU . . . 49.1 20.19 1.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.753 HG12 ' O ' ' A' ' 114' ' ' VAL . 2.7 t -149.49 77.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 0.766 . . . . 0.0 109.249 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.989 ' HB3' ' CG2' ' A' ' 111' ' ' THR . . . 162.22 95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.906 HD11 HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -56.19 139.36 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -97.72 -156.03 30.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER 176.64 136.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -144.77 155.06 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 14' ' ' CYS . 21.9 mtm -147.44 139.45 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.653 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -146.88 155.2 42.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -119.12 150.47 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -158.65 105.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.669 ' O ' ' OG ' ' A' ' 11' ' ' SER . 1.4 tt0 64.86 -28.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.713 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 158.07 -2.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 46' ' ' VAL . 7.2 p -89.33 120.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -92.01 98.77 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.937 ' O ' HD12 ' A' ' 15' ' ' ILE . 1.5 m -71.0 144.34 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 14' ' ' CYS . 1.3 mp -136.0 103.91 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' CD ' ' OD1' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -99.28 95.93 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.906 HD23 HD11 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -92.53 132.18 37.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 3' ' ' GLY . 0.8 OUTLIER -129.54 115.99 18.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.417 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.784 ' HA3' ' HA ' ' A' ' 2' ' ' LEU . . . 154.44 -120.48 1.03 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.647 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -122.19 160.62 24.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -119.59 82.51 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.696 ' CG ' ' CE2' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -132.92 166.51 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.776 ' NE2' ' CD2' ' A' ' 24' ' ' HIS . 1.8 p80 -44.22 -23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.776 ' CD2' ' NE2' ' A' ' 23' ' ' HIS . 71.8 m-70 -79.33 -51.58 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.073 . . . . 0.0 109.562 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.775 ' HB ' HD22 ' A' ' 2' ' ' LEU . 1.9 p -80.68 -28.55 36.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 22' ' ' ASP . . . -67.53 -28.26 67.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -54.66 -49.66 70.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -46.13 -43.18 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.06 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.1 -44.76 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -74.6 -34.67 62.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.689 ' HE2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.45 -8.39 46.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 29' ' ' LEU . 82.2 t -83.96 -50.55 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -56.26 -41.23 75.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 3.7 pp0? -59.56 -42.56 92.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.4 ' HB3' ' CD ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -77.62 -24.38 49.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.824 HD22 ' HG3' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -51.07 -33.58 26.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -163.4 72.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -71.9 -46.05 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 39' ' ' LYS . 3.0 m-20 163.39 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.09 -135.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.883 ' CD1' HG22 ' A' ' 73' ' ' ILE . 1.1 mm -136.23 83.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.659 ' HB3' ' O ' ' A' ' 11' ' ' SER . 1.7 mtm-85 -81.5 -165.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.723 ' CE1' HD23 ' A' ' 112' ' ' LEU . 54.2 m-70 -128.13 161.73 28.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -108.55 156.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 12' ' ' VAL . 1.7 t -157.2 82.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 3.2 mm? -87.11 151.54 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.781 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 179.95 107.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -99.31 119.91 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.68 -21.57 30.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' OD1' ' CA ' ' A' ' 19' ' ' GLY . 23.8 t70 -119.43 66.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 ' CB ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -94.83 105.42 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.3 t -123.19 -88.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.878 ' O ' ' HE3' ' A' ' 55' ' ' MET . 69.5 t80 -46.52 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.878 ' HE3' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER 37.8 84.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.605 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 7.3 t0 -97.88 -150.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.4 p -87.8 13.28 10.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB2' ' N ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER -81.74 -59.4 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -84.37 -17.3 64.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD11 ' HA3' ' A' ' 94' ' ' GLY . 0.3 OUTLIER -49.73 -45.04 48.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -79.64 -32.37 37.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -63.75 -24.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.444 HD12 HG12 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -87.56 -34.92 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.925 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD12 HD11 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -68.84 -38.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.18 -20.45 58.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.868 ' O ' HG22 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -83.8 -44.19 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.255 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 2.0 t80 -49.28 -46.69 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -76.94 -7.89 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.824 ' HG3' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -93.8 -51.17 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.374 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.901 HG23 ' HG2' ' A' ' 77' ' ' MET . 0.2 OUTLIER -60.62 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.455 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 3.7 mtpt -75.69 -20.83 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -76.09 -21.13 57.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.883 HG22 ' CD1' ' A' ' 42' ' ' ILE . 0.3 OUTLIER -80.53 -46.26 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.65 31.17 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -139.12 5.47 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 45' ' ' ILE . 8.4 mm-40 -138.48 146.97 42.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.901 ' HG2' HG23 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -103.84 125.59 50.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG11 ' CA ' ' A' ' 110' ' ' LEU . 0.9 OUTLIER -123.06 158.92 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.04 HG22 ' CE2' ' A' ' 101' ' ' PHE . 13.3 p -174.82 117.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 110' ' ' LEU . 10.8 p -136.81 -171.11 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.261 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 49' ' ' LEU . . . 71.58 89.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 -156.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.574 ' N ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -152.32 167.1 13.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.563 1.823 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.06 22.46 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.797 HG13 ' SD ' ' A' ' 55' ' ' MET . 2.4 t -139.94 -34.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HG3' ' CE2' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -78.84 -9.83 59.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.37 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.885 HD23 ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -63.32 -38.74 92.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.616 ' CB ' ' CD1' ' A' ' 96' ' ' PHE . 58.5 m-85 -78.34 -31.93 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -32.66 73.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 tpt -130.24 -58.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.885 ' CB ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.9 -12.18 16.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . -136.64 -176.36 14.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.002 ' O ' ' N ' ' A' ' 98' ' ' ILE . 11.9 tp -102.94 35.68 2.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 0.779 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.648 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -11.08 -46.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.876 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.73 -25.95 65.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.002 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -96.17 -2.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.665 ' CG2' HG11 ' A' ' 79' ' ' VAL . 14.6 mm -114.95 -15.29 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 96' ' ' PHE . 4.4 mmt85 32.16 77.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 1.04 ' CE2' HG22 ' A' ' 79' ' ' VAL . 1.6 t80 -100.04 166.55 10.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.072 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.578 ' CB ' ' HB2' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -144.16 -148.94 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.831 ' O ' ' N ' ' A' ' 105' ' ' GLU . 1.9 mt-30 -149.7 96.22 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.8 ' O ' ' N ' ' A' ' 107' ' ' GLN . 6.7 t 53.59 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.831 ' N ' ' O ' ' A' ' 103' ' ' GLN . 7.0 tt0 -38.67 -27.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.61 ' O ' ' N ' ' A' ' 110' ' ' LEU . 3.8 tt0 -76.34 -21.83 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.8 ' N ' ' O ' ' A' ' 104' ' ' SER . 4.9 pt20 -31.26 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 106' ' ' GLN . . . -78.32 -63.03 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.652 HD23 ' HA2' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -61.8 -13.87 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -61.43 -37.3 83.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.011 HG22 ' HB3' ' A' ' 115' ' ' ALA . 94.8 m -58.39 -3.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.078 HD13 ' C ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER 103.52 18.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.652 ' HA2' HD23 ' A' ' 109' ' ' LEU . . . 106.43 61.16 0.59 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.566 ' O ' ' CG1' ' A' ' 114' ' ' VAL . 0.4 OUTLIER 55.35 109.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 1.011 ' HB3' HG22 ' A' ' 111' ' ' THR . . . -151.74 76.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.951 . . . . . . . . 1 1 . 1 stop_ save_