data_2iv6_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 2iv6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.564 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m-80 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 1.3 t30 77.59 -56.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -71.27 -81.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.75 -37.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 20.5 m170 -61.61 -20.04 62.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 44.0 t30 -47.25 -53.13 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -47.61 -35.92 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 177' ' ' HIS . 13.5 t -83.63 -29.83 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 56.3 t30 -57.77 -54.21 49.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -40.02 -30.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 181' ' ' ASN . 8.3 m -88.54 -44.08 10.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 181' ' ' ASN . 52.4 mt -63.22 -45.0 99.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.45 27.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 8.7 mt-30 -155.02 -44.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -39.95 154.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.67 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 78.41 -52.92 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.457 ' N ' ' CG2' ' A' ' 188' ' ' THR . 43.0 t -67.23 -59.71 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.57 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.4 m-80 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 24.5 t-20 75.55 -56.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.6 m-85 -73.24 -85.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.56 -47.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 7.7 m-70 -51.77 -21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.2 t30 -45.05 -50.44 10.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.2 t -45.86 -37.96 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 55.8 t -84.54 -30.01 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 37.4 t30 -59.03 -43.49 91.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.1 mp -39.67 -47.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -67.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 82.1 mt -42.72 -36.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 88.33 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.0 pm0 -129.38 78.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 3.2 t60 -83.94 -98.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.534 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.6 OUTLIER -38.11 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 187' ' ' HIS . 56.0 t -40.95 -29.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 69.8 p . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.572 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 70.98 -58.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.4 m-85 -71.93 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.73 -47.62 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 7.2 m-70 -52.64 -21.13 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.5 t30 -45.17 -52.25 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -46.13 -37.1 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.247 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 184' ' ' ILE . 21.7 t -85.45 -30.36 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 178' ' ' ASN . 57.7 t-20 -59.84 -35.35 74.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 179' ' ' CYS . 2.0 mt -48.24 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -53.7 -68.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.471 ' CD1' HG13 ' A' ' 180' ' ' VAL . 1.6 mp -41.07 -48.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.8 OUTLIER 85.43 21.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -145.34 -98.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 190' ' ' THR . 0.1 OUTLIER 53.15 -95.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 187' ' ' HIS . 3.2 m -36.73 -32.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 187' ' ' HIS . 60.0 t -87.64 -48.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 6.1 m-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 178' ' ' ASN . 55.9 t30 76.67 -57.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.35 -40.87 57.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.9 m170 -60.61 -20.06 59.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.492 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 53.2 t30 -46.99 -51.6 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -42.88 -29.15 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 108.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 178' ' ' ASN . 6.3 t -100.28 -33.25 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 185' ' ' LYS . 1.1 t30 -60.72 -18.59 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.0 mp -71.48 -55.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -64.96 -50.0 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 57.1 mt -68.96 -38.9 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.88 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 186' ' ' GLN . 0.9 OUTLIER -133.44 84.16 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -97.83 -81.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 174' ' ' ASN . 0.4 OUTLIER -40.73 -37.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.4 -60.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.572 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 188' ' ' THR . 5.8 t30 72.7 -57.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 3.2 m-85 -73.95 -81.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.88 -51.27 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 9.2 m-70 -49.4 -22.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 45.6 t30 -43.82 -53.41 6.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.391 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -43.14 -38.56 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 177' ' ' HIS . 69.0 t -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.0 t30 -56.9 -40.61 76.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 179' ' ' CYS . 1.9 mt -40.2 -69.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.79 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 14.4 mt -90.61 -77.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER 86.7 56.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -147.31 -52.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.4 OUTLIER -53.82 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.689 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -35.57 -34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.2 t -46.54 -47.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 4.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.8 m120 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 18.4 t-20 77.38 -55.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -75.73 -85.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.46 -47.19 93.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.654 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.1 m-70 -52.63 -20.93 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.618 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.507 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 50.0 t30 -48.11 -32.93 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 11.4 t -55.84 -38.05 69.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 177' ' ' HIS . 72.2 t -96.51 -28.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -66.97 -41.58 86.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 6.8 mt -40.48 -69.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 182' ' ' ILE . 0.9 OUTLIER -38.16 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 27.3 mt -87.71 -76.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.66 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -134.93 -63.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.1 OUTLIER -53.53 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.536 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 187' ' ' HIS . 15.8 m -37.1 -32.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 187' ' ' HIS . 33.5 t -68.61 -58.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 174' ' ' ASN . 28.3 p-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 173' ' ' ASN . 23.3 p30 -38.36 -31.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.1 t80 -70.12 -63.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.89 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 181' ' ' ASN . 10.0 m170 -57.57 -18.27 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.55 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.4 t-20 -48.37 -51.38 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -46.56 -26.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 108.236 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 184' ' ' ILE . 19.3 t -99.04 -29.74 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 177' ' ' HIS . 12.3 t-20 -58.12 -25.15 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 0.8 OUTLIER -75.02 -10.28 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 41.7 m -114.76 -18.16 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 48.4 mt -104.58 -40.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.8 mmtp 51.64 57.54 6.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.474 ' HB2' ' CG2' ' A' ' 184' ' ' ILE . 1.6 mt-30 -150.76 -50.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 190' ' ' THR . 0.4 OUTLIER -56.96 -103.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.6 m -35.17 -45.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 50.4 t -41.84 -51.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.7 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.615 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 7.9 t30 -40.14 -52.95 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -49.02 -53.3 20.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.71 -16.85 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.615 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.04 -7.72 48.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.558 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -73.02 -17.65 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.2 t -131.69 7.05 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.337 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.53 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.3 t -121.67 -47.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 13.4 t30 -53.47 -20.61 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 182' ' ' ILE . 1.3 mp -70.75 -15.11 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -113.88 -21.7 10.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.53 ' CD1' ' CG1' ' A' ' 180' ' ' VAL . 87.0 mt -94.66 -36.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER 87.54 -46.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -136.05 86.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.3 OUTLIER -86.58 -95.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.56 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -36.17 -37.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.424 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.23 -56.55 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.408 ' HB ' ' NE2' ' A' ' 186' ' ' GLN . 1.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.556 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 10.7 m120 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 14.1 t-20 81.51 -52.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.9 OUTLIER -78.67 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.93 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.56 -55.43 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 15.1 m-70 -52.04 -21.55 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 13.8 t-20 -44.89 -51.73 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.0 t -44.51 -38.16 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 54.9 t -87.07 -29.8 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.594 1.184 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.8 t-20 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.2 mp -39.24 -43.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 4.8 m -79.19 -51.88 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 48.2 mt -50.21 -36.52 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tpmp? 89.07 -44.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.233 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.1 pp0? -140.41 89.03 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.505 ' O ' ' CG2' ' A' ' 190' ' ' THR . 2.0 t60 -85.98 -101.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -37.77 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.6 -26.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 47.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 188' ' ' THR . 2.6 p30 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -75.32 -61.77 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.76 -56.21 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 173' ' ' ASN . 18.7 m-70 -51.95 -21.04 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.9 t-20 -45.83 -52.0 11.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 44.1 t -44.19 -33.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.211 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.459 ' HB ' ' CD2' ' A' ' 187' ' ' HIS . 2.4 t -93.06 -31.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.7 t30 -55.2 -34.31 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 182' ' ' ILE . 1.0 OUTLIER -69.89 -11.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.1 m -111.21 -26.09 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.571 HD11 ' CD2' ' A' ' 187' ' ' HIS . 10.4 mt -90.56 -40.22 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 81.57 20.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 188' ' ' THR . 4.8 mt-30 -146.13 -98.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.571 ' CD2' HD11 ' A' ' 184' ' ' ILE . 1.3 m-70 46.99 -94.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 174' ' ' ASN . 83.7 m -37.83 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.5 t -88.73 -47.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.403 1.065 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 175' ' ' PHE . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.604 ' N ' ' HG1' ' A' ' 188' ' ' THR . 3.3 p-10 -38.51 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 173' ' ' ASN . 3.5 m-85 -70.68 -58.68 3.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.9 -47.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.5 m170 -61.78 -17.26 55.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 181' ' ' ASN . 41.9 t30 -49.73 -51.49 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.5 t -43.57 -28.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 184' ' ' ILE . 3.3 t -99.45 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.2 t30 -55.59 -25.27 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.424 ' CD1' ' OD1' ' A' ' 178' ' ' ASN . 1.1 mp -74.86 -9.83 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -114.3 -26.27 8.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 85.4 mt -97.45 -36.07 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER 92.14 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.4 pm0 -134.41 84.27 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -90.68 -79.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.654 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.604 ' HG1' ' N ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -57.39 -33.83 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.33 -31.21 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.376 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 15.3 p-10 -53.03 -42.81 66.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.64 -51.78 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 29.0 t -60.81 -18.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.18 -7.55 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.5 t-20 -72.24 -17.86 61.87 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.01 7.59 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.496 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.3 t -121.63 -46.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 9.0 t-20 -54.57 -20.14 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 4.9 mp -78.45 -19.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.6 m -107.67 -21.58 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 89.7 mt -101.73 -40.14 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 88.92 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 186' ' ' GLN . 1.3 pp0? -134.2 85.87 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.486 ' H ' ' ND2' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -82.36 -101.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.565 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 187' ' ' HIS . 2.4 m -37.46 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.25 -51.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.4 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -40.31 -63.47 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.05 -52.77 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.424 ' CG1' HG22 ' A' ' 180' ' ' VAL . 3.5 t -62.45 -19.24 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.28 -9.46 41.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -73.78 -11.03 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.4 t -130.43 6.13 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.424 HG22 ' CG1' ' A' ' 176' ' ' VAL . 14.6 t -125.84 -47.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.546 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.8 t30 -56.71 -18.16 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.09 -13.12 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.6 m -114.76 -17.77 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 74.6 mt -102.65 -38.87 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.2 tpmp? 88.55 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.212 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.76 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.4 OUTLIER -92.78 -102.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.602 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -38.17 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.26 -26.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 49.7 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.62 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.6 p-10 -40.5 -58.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -47.99 -54.63 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.84 -17.89 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.88 -7.81 43.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.516 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -73.46 -17.17 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 7.06 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 184' ' ' ILE . 2.4 t -122.11 -48.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.7 t30 -53.1 -20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 182' ' ' ILE . 2.2 mp -70.07 -8.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -114.47 -29.55 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.382 1.051 . . . . 0.0 110.412 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 3.4 mp -90.31 -37.49 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.78 -40.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 2.0 pp0? -138.43 87.61 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.4 OUTLIER -89.3 -92.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 174' ' ' ASN . 2.9 m -36.43 -36.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -55.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.622 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 59.0 t-20 -40.44 -56.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -47.17 -53.93 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.72 -19.59 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.4 -8.06 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.507 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 8.7 t-20 -72.03 -17.04 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 3.4 t -134.65 7.96 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 184' ' ' ILE . 2.3 t -121.84 -45.07 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.1 t30 -54.95 -19.31 6.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -78.59 -20.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.3 m -103.09 -20.03 14.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 63.9 mt -102.97 -44.67 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tptp 91.05 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.24 84.8 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.485 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.3 OUTLIER -97.56 -101.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.9 OUTLIER -38.35 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.7 t -40.45 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 81.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.564 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 5.6 m120 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.5 ' CG ' ' CG2' ' A' ' 188' ' ' THR . 35.5 t30 75.52 -56.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.8 m-85 -73.29 -84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.02 -48.88 87.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 8.1 m-70 -50.7 -22.35 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 40.6 t30 -44.7 -52.38 8.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.3 t -44.0 -38.33 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.331 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 86.0 t -79.67 -37.42 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 53.9 t-20 -50.13 -48.24 53.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.6 mp -40.36 -29.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.6 m -93.89 -39.28 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 37.3 mm -63.46 -35.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.58 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.393 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.6 pp0? -132.73 83.06 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.506 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.3 OUTLIER -90.07 -110.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.615 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.5 ' CG2' ' CG ' ' A' ' 174' ' ' ASN . 2.2 m -38.13 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.8 t -36.29 -50.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.433 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.593 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.7 m120 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.568 ' N ' ' HE2' ' A' ' 187' ' ' HIS . 2.4 t30 77.75 -55.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.6 m-85 -75.01 -85.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.98 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.593 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.5 m-70 -56.27 -18.34 10.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.3 t30 -47.44 -52.54 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 40.4 t -49.19 -30.99 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 70.7 t -88.86 -27.85 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 184' ' ' ILE . 11.0 t-20 -62.22 -50.06 73.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -38.83 -32.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.4 m -80.86 -47.46 13.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 181' ' ' ASN . 13.5 mt -67.71 -52.39 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.204 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.1 mmtp 65.96 47.33 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 184' ' ' ILE . 8.2 mt-30 -146.97 -51.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.568 ' HE2' ' N ' ' A' ' 174' ' ' ASN . 1.6 t60 -55.0 -104.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 187' ' ' HIS . 17.6 m -33.56 -37.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 110.393 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.7 t -48.43 -55.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 187' ' ' HIS . 5.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.606 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 18.8 t-20 -123.13 -44.89 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -48.15 -53.29 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.24 -17.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.06 -7.5 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.28 -18.23 61.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.73 7.43 4.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.505 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.3 t -121.36 -46.29 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.527 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 9.3 t-20 -54.44 -20.07 6.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.87 -21.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 23.5 m -106.47 -21.14 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.505 ' CD1' ' CG1' ' A' ' 180' ' ' VAL . 95.4 mt -101.29 -41.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.0 OUTLIER 89.1 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -135.21 86.82 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.468 ' H ' ' ND2' ' A' ' 181' ' ' ASN . 0.4 OUTLIER -85.89 -97.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.61 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 187' ' ' HIS . 10.0 m -36.85 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -43.45 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 188' ' ' THR . 6.2 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' ASN . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.621 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 6.9 p30 -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 174' ' ' ASN . 3.0 m-85 -49.09 -52.11 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.92 -16.96 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.16 -6.13 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.653 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.91 -20.21 60.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.3 6.1 5.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.61 -49.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.539 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -55.97 -18.92 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.5 mm -77.78 -11.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.4 m -115.06 -22.76 9.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.64 -37.89 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 67.61 27.86 7.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.415 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 2.5 mt-30 -148.27 -88.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 41.58 -106.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -33.46 -39.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 187' ' ' HIS . 11.9 t -48.78 -55.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 187' ' ' HIS . 5.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.498 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 0.5 OUTLIER -39.08 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -77.16 -64.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.58 -57.81 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 173' ' ' ASN . 15.4 m-70 -49.28 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 63.9 t30 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 43.0 t -44.95 -37.96 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 177' ' ' HIS . 83.2 t -85.17 -30.9 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 48.2 t30 -65.57 -20.34 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 182' ' ' ILE . 3.0 mm -67.27 -9.85 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 15.6 m -109.96 -22.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.404 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 16.7 mt -94.83 -45.44 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.5 tptp 73.46 40.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 187' ' ' HIS . 56.3 mt-30 -152.73 -107.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.7 t60 37.75 -101.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 88.2 m -35.48 -45.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -42.56 -51.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.9 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.584 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -121.24 -38.64 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -80.6 -61.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.34 -44.6 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.584 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.8 m170 -70.4 -7.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.072 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 65.9 t30 -60.88 -48.15 83.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.0 t -45.17 -39.02 5.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 108.326 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 56.7 t -84.09 -29.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 178' ' ' ASN . 44.6 t-20 -58.67 -44.07 90.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 1.8 mp -38.39 -31.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.3 m -83.49 -50.89 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 45.1 mt -60.27 -39.17 79.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 91.52 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 1.7 pm0 -138.4 86.78 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.8 t60 -91.83 -99.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.7 OUTLIER -36.83 -51.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 188' ' ' THR . 26.9 t -41.32 -48.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.57 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 173' ' ' ASN . 1.3 t-20 66.51 -60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 173' ' ' ASN . 2.4 m-85 -73.24 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.1 -30.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 5.3 m-70 -75.66 -2.06 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.599 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 14.1 t-20 -67.0 -39.98 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.7 t -55.37 -21.69 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.0 -21.27 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 177' ' ' HIS . 4.1 t30 -78.7 -44.1 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 5.9 mt -37.84 -56.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.09 -46.11 16.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.465 ' CG2' ' CG ' ' A' ' 186' ' ' GLN . 19.5 mt -77.92 -63.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.455 ' CE ' HG23 ' A' ' 189' ' ' VAL . 0.0 OUTLIER 73.15 54.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.465 ' CG ' ' CG2' ' A' ' 184' ' ' ILE . 1.6 pp0? -132.35 -42.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.464 ' N ' ' CD ' ' A' ' 186' ' ' GLN . 0.1 OUTLIER -82.16 -85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.628 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.502 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 79.3 m -36.83 -32.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.455 HG23 ' CE ' ' A' ' 185' ' ' LYS . 55.9 t -60.46 -58.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.3 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.469 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.41 ' N ' ' HB ' ' A' ' 176' ' ' VAL . 2.6 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 p-10 -51.46 -47.08 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.31 -46.87 88.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.41 ' HB ' ' N ' ' A' ' 173' ' ' ASN . 18.3 t -53.5 -20.64 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -66.54 -12.33 57.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.635 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -68.99 -17.03 63.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.21 8.38 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.4 t -123.12 -43.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 7.8 t-20 -55.12 -19.27 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.387 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.84 -16.98 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 59.2 m -114.26 -17.24 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.558 ' CD1' ' CG1' ' A' ' 180' ' ' VAL . 55.4 mt -106.04 -39.74 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.33 39.63 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.6 mt-30 -155.44 -44.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.434 ' CD2' HG13 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.96 155.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.665 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.459 HG22 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.64 -52.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 188' ' ' THR . 39.3 t -69.5 -55.41 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 7.8 t-20 85.25 -44.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.28 -83.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.3 t -54.85 -21.23 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER -74.42 -3.6 31.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 181' ' ' ASN . 9.3 t30 -65.91 -48.11 72.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.82 -28.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 184' ' ' ILE . 21.5 t -92.46 -37.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 2.3 t-20 -48.93 -44.4 40.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.43 ' CD1' ' OD1' ' A' ' 178' ' ' ASN . 1.1 mp -46.83 -24.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 183' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 181' ' ' ASN . 94.6 m -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 180' ' ' VAL . 3.1 mp -75.25 -48.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER 80.23 19.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.346 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -148.06 -45.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -39.12 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.521 ' N ' ' HE2' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 75.23 -53.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 188' ' ' THR . 72.0 t -73.22 -54.0 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.945 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 177' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 8.7 t30 164.92 -61.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.1 t80 -66.69 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.41 -48.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 173' ' ' ASN . 16.9 m-70 -60.14 -16.18 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 58.5 t30 -49.66 -50.32 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . 0.409 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 31.6 t -44.73 -27.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 184' ' ' ILE . 4.8 t -100.76 -29.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 27.7 t-20 -64.88 -17.94 64.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 1.4 mp -63.35 -48.81 85.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -49.37 24.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 1.3 mp -61.86 -42.99 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.67 -42.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.0 OUTLIER -124.86 81.91 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 190' ' ' THR . 60.0 t-80 -89.86 -80.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.634 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 53.2 m -40.59 -34.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -48.32 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.613 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.8 p30 -39.46 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.87 -50.38 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.22 -18.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.78 -8.7 50.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.535 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.3 t30 -71.35 -16.61 62.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.6 t -134.73 7.79 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 108.387 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 184' ' ' ILE . 2.3 t -122.28 -45.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.538 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -54.96 -18.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -77.69 -21.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.1 m -106.2 -17.56 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.462 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.463 HD11 ' CG1' ' A' ' 180' ' ' VAL . 72.6 mt -105.21 -43.86 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 71.28 28.85 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 3.2 tt0 -155.28 -82.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.575 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 38.8 -102.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 1.2 m -35.54 -57.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.362 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 54.1 t -39.61 -48.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 2.6 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.584 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 2.2 t30 -51.37 -65.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.38 -47.52 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.65 -21.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.394 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -65.13 -13.04 57.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.642 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -69.12 -16.84 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.85 8.2 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 184' ' ' ILE . 2.4 t -123.23 -43.59 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 8.1 t-20 -54.84 -19.07 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.68 -14.66 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 65.6 m -114.71 -25.23 8.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 180' ' ' VAL . 1.9 mp -99.9 -38.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.62 39.41 30.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 34.3 mt-30 -155.33 -43.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 186' ' ' GLN . 0.1 OUTLIER -37.26 154.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.563 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.85 -53.12 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 188' ' ' THR . 38.0 t -69.72 -13.94 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.996 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.1 m120 -62.34 -57.36 11.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.47 -46.61 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.32 -19.93 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.63 -11.22 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.88 -16.37 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.93 8.36 3.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.239 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.55 -44.58 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 56.0 t30 -54.36 -18.99 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.175 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.2 -17.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 3.0 m -115.4 -20.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 1.4 mp -100.13 -38.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 50.18 43.66 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.2 mt-30 -155.32 -44.26 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 188' ' ' THR . 9.0 m-70 -38.75 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 76.31 -52.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.468 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 188' ' ' THR . 75.7 t -67.68 -33.62 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m120 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -38.99 -35.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.52 -63.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.58 -20.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 173' ' ' ASN . 14.4 m170 -79.17 1.86 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.36 -63.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.25 -26.18 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.53 -32.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 3.7 t-20 -52.64 -38.63 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 182' ' ' ILE . 2.5 mp -62.4 -14.44 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.7 m -103.54 -38.5 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.8 OUTLIER -76.59 -42.49 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER 82.15 20.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -155.1 -43.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 177' ' ' HIS . 0.1 OUTLIER -39.03 152.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.606 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 79.2 -52.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 188' ' ' THR . 94.0 t -64.04 -26.96 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.558 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.0 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.502 ' OD1' ' CG2' ' A' ' 188' ' ' THR . 17.3 t-20 73.39 -57.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.7 m-85 -72.11 -85.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.21 -46.05 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.2 m-70 -53.78 -20.24 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 41.5 t30 -46.8 -46.58 20.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 41.6 t -46.84 -34.69 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.292 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 177' ' ' HIS . 93.4 t -86.29 -30.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 24.6 t30 -59.12 -45.58 90.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.4 mp -39.14 -45.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 7.7 m -60.05 -67.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.357 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 184' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 9.4 mt -51.06 -47.16 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 84.46 31.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 186' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 1.4 tt0 -155.09 -87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.549 ' N ' ' CG ' ' A' ' 186' ' ' GLN . 0.4 OUTLIER 32.42 -105.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.707 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 174' ' ' ASN . 2.7 m -33.05 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 189' ' ' VAL . . . . . 0.464 ' CG1' ' OE1' ' A' ' 186' ' ' GLN . 1.2 t -39.53 -29.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 190' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 35.1 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.564 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m-80 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 1.3 t30 77.59 -56.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -71.27 -81.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.75 -37.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 20.5 m170 -61.61 -20.04 62.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 44.0 t30 -47.25 -53.13 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -47.61 -35.92 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 177' ' ' HIS . 13.5 t -83.63 -29.83 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 56.3 t30 -57.77 -54.21 49.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -40.02 -30.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 181' ' ' ASN . 8.3 m -88.54 -44.08 10.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 181' ' ' ASN . 52.4 mt -63.22 -45.0 99.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.45 27.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 8.7 mt-30 -155.02 -44.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -39.95 154.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.67 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.457 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 78.41 -52.92 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.457 ' N ' ' CG2' ' A' ' 188' ' ' THR . 43.0 t -67.23 -59.71 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 191' ' ' THR . 13.7 t -51.43 -51.54 54.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.75 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.46 ' O ' ' CG2' ' A' ' 193' ' ' THR . 2.6 p -74.01 -48.85 27.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 13.3 t 47.76 -157.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 163.15 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 110.962 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.57 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.4 m-80 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 24.5 t-20 75.55 -56.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.6 m-85 -73.24 -85.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.56 -47.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 7.7 m-70 -51.77 -21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.2 t30 -45.05 -50.44 10.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.2 t -45.86 -37.96 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 55.8 t -84.54 -30.01 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 37.4 t30 -59.03 -43.49 91.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.1 mp -39.67 -47.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -67.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 82.1 mt -42.72 -36.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 88.33 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.0 pm0 -129.38 78.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 3.2 t60 -83.94 -98.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.534 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.6 OUTLIER -38.11 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 187' ' ' HIS . 56.0 t -40.95 -29.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 69.8 p -38.6 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 192' ' ' THR . 8.4 p -142.16 -76.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.526 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 84.06 -12.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 6.1 t -77.49 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.0 OUTLIER 73.19 113.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.572 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 70.98 -58.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.4 m-85 -71.93 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.73 -47.62 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 7.2 m-70 -52.64 -21.13 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.5 t30 -45.17 -52.25 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -46.13 -37.1 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.247 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 184' ' ' ILE . 21.7 t -85.45 -30.36 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 178' ' ' ASN . 57.7 t-20 -59.84 -35.35 74.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 179' ' ' CYS . 2.0 mt -48.24 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -53.7 -68.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.471 ' CD1' HG13 ' A' ' 180' ' ' VAL . 1.6 mp -41.07 -48.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.8 OUTLIER 85.43 21.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -145.34 -98.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 190' ' ' THR . 0.1 OUTLIER 53.15 -95.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 187' ' ' HIS . 3.2 m -36.73 -32.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 187' ' ' HIS . 60.0 t -87.64 -48.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t -56.86 -35.24 68.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.5 m -38.87 -55.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 4.1 m -145.26 -75.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 194' ' ' LYS . 9.7 t -172.83 -39.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 193' ' ' THR . 11.4 mttt -39.37 -55.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 6.1 m-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 178' ' ' ASN . 55.9 t30 76.67 -57.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.35 -40.87 57.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.9 m170 -60.61 -20.06 59.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.492 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 53.2 t30 -46.99 -51.6 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -42.88 -29.15 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 108.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 178' ' ' ASN . 6.3 t -100.28 -33.25 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 185' ' ' LYS . 1.1 t30 -60.72 -18.59 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.0 mp -71.48 -55.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -64.96 -50.0 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 57.1 mt -68.96 -38.9 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.88 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 186' ' ' GLN . 0.9 OUTLIER -133.44 84.16 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -97.83 -81.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 174' ' ' ASN . 0.4 OUTLIER -40.73 -37.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.4 -60.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.34 -44.08 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 61.7 m -38.97 -57.1 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 16.3 m -154.03 -75.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 6.3 t -172.91 -176.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 166.29 -64.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.572 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 188' ' ' THR . 5.8 t30 72.7 -57.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 3.2 m-85 -73.95 -81.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.88 -51.27 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 9.2 m-70 -49.4 -22.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 45.6 t30 -43.82 -53.41 6.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.391 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -43.14 -38.56 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 177' ' ' HIS . 69.0 t -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.0 t30 -56.9 -40.61 76.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 179' ' ' CYS . 1.9 mt -40.2 -69.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.79 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 14.4 mt -90.61 -77.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.2 OUTLIER 86.7 56.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -147.31 -52.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.4 OUTLIER -53.82 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.689 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -35.57 -34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.2 t -46.54 -47.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 191' ' ' THR . 4.7 t -67.37 -51.2 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.51 ' CB ' ' O ' ' A' ' 190' ' ' THR . 0.9 OUTLIER 166.08 -81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 191' ' ' THR . 1.4 m -166.99 -48.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 1.0 OUTLIER -78.57 163.83 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 193' ' ' THR . 7.2 tttp 86.92 159.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.422 1.077 . . . . 0.0 110.942 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.8 m120 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 18.4 t-20 77.38 -55.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -75.73 -85.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.46 -47.19 93.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.654 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.1 m-70 -52.63 -20.93 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.618 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.507 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 50.0 t30 -48.11 -32.93 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 11.4 t -55.84 -38.05 69.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 177' ' ' HIS . 72.2 t -96.51 -28.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -66.97 -41.58 86.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 6.8 mt -40.48 -69.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 182' ' ' ILE . 0.9 OUTLIER -38.16 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 27.3 mt -87.71 -76.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.66 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -134.93 -63.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.1 OUTLIER -53.53 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.536 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 192' ' ' THR . 15.8 m -37.1 -32.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 187' ' ' HIS . 33.5 t -68.61 -58.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t -54.51 -34.89 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 192' ' ' THR . 2.3 p -94.93 -87.04 0.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.97 -12.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 97.2 m 51.69 174.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 87.81 112.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.062 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 174' ' ' ASN . 28.3 p-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 173' ' ' ASN . 23.3 p30 -38.36 -31.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.1 t80 -70.12 -63.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.89 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 181' ' ' ASN . 10.0 m170 -57.57 -18.27 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.55 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.4 t-20 -48.37 -51.38 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -46.56 -26.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 108.236 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 184' ' ' ILE . 19.3 t -99.04 -29.74 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 177' ' ' HIS . 12.3 t-20 -58.12 -25.15 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 0.8 OUTLIER -75.02 -10.28 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 41.7 m -114.76 -18.16 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 48.4 mt -104.58 -40.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.8 mmtp 51.64 57.54 6.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.474 ' HB2' ' CG2' ' A' ' 184' ' ' ILE . 1.6 mt-30 -150.76 -50.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 190' ' ' THR . 0.4 OUTLIER -56.96 -103.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 191' ' ' THR . 1.6 m -35.17 -45.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 50.4 t -41.84 -51.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 191' ' ' THR . 3.1 t -49.17 -40.52 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.62 -51.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.2 m -168.89 -57.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 13.8 t 44.63 -160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 163.2 105.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.7 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.615 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 7.9 t30 -40.14 -52.95 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -49.02 -53.3 20.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.71 -16.85 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.615 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.04 -7.72 48.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.558 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -73.02 -17.65 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.2 t -131.69 7.05 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.337 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.53 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.3 t -121.67 -47.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 13.4 t30 -53.47 -20.61 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.3 mp -70.75 -15.11 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -113.88 -21.7 10.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.53 ' CD1' ' CG1' ' A' ' 180' ' ' VAL . 87.0 mt -94.66 -36.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER 87.54 -46.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -136.05 86.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.3 OUTLIER -86.58 -95.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.56 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -36.17 -37.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.424 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.23 -56.55 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.4 t -48.38 -48.79 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.47 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.59 -51.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER 168.6 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 2.1 t -49.63 -51.04 40.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 193' ' ' THR . 4.3 tttt 64.14 -78.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.556 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 10.7 m120 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 14.1 t-20 81.51 -52.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.9 OUTLIER -78.67 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.93 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.56 -55.43 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 15.1 m-70 -52.04 -21.55 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 13.8 t-20 -44.89 -51.73 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.0 t -44.51 -38.16 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 54.9 t -87.07 -29.8 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.594 1.184 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.8 t-20 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.2 mp -39.24 -43.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 4.8 m -79.19 -51.88 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 48.2 mt -50.21 -36.52 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tpmp? 89.07 -44.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.233 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.1 pp0? -140.41 89.03 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.505 ' O ' ' CG2' ' A' ' 190' ' ' THR . 2.0 t60 -85.98 -101.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -37.77 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.6 -26.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 47.6 p -37.23 -41.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.6 p -106.43 -76.1 0.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.2 m -168.36 -55.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 10.2 t -162.24 -50.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.27 74.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.349 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 188' ' ' THR . 2.6 p30 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -75.32 -61.77 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.76 -56.21 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 173' ' ' ASN . 18.7 m-70 -51.95 -21.04 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.9 t-20 -45.83 -52.0 11.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 44.1 t -44.19 -33.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.211 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.459 ' HB ' ' CD2' ' A' ' 187' ' ' HIS . 2.4 t -93.06 -31.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.7 t30 -55.2 -34.31 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.0 OUTLIER -69.89 -11.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.1 m -111.21 -26.09 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.571 HD11 ' CD2' ' A' ' 187' ' ' HIS . 10.4 mt -90.56 -40.22 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 81.57 20.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 188' ' ' THR . 4.8 mt-30 -146.13 -98.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.571 ' CD2' HD11 ' A' ' 184' ' ' ILE . 1.3 m-70 46.99 -94.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 174' ' ' ASN . 83.7 m -37.83 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.5 t -88.73 -47.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.403 1.065 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -53.9 -34.86 60.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.3 m -62.99 -54.44 38.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 193' ' ' THR . 1.5 m -150.6 -81.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 192' ' ' THR . 0.5 OUTLIER 82.94 -48.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.417 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 193' ' ' THR . 0.9 OUTLIER -39.43 125.66 1.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 175' ' ' PHE . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.604 ' N ' ' HG1' ' A' ' 188' ' ' THR . 3.3 p-10 -38.51 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 173' ' ' ASN . 3.5 m-85 -70.68 -58.68 3.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.9 -47.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.5 m170 -61.78 -17.26 55.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 181' ' ' ASN . 41.9 t30 -49.73 -51.49 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.5 t -43.57 -28.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 184' ' ' ILE . 3.3 t -99.45 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.2 t30 -55.59 -25.27 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.424 ' CD1' ' OD1' ' A' ' 178' ' ' ASN . 1.1 mp -74.86 -9.83 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -114.3 -26.27 8.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 85.4 mt -97.45 -36.07 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER 92.14 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.4 pm0 -134.41 84.27 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -90.68 -79.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.654 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.604 ' HG1' ' N ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -57.39 -33.83 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.33 -31.21 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 191' ' ' THR . 1.3 t -64.96 -35.07 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.418 ' N ' HG21 ' A' ' 190' ' ' THR . 96.9 m -57.17 -60.93 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 8.9 m -116.42 -86.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 2.5 t -173.86 -159.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.2 OUTLIER 87.22 68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 15.3 p-10 -53.03 -42.81 66.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.64 -51.78 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 29.0 t -60.81 -18.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.18 -7.55 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.5 t-20 -72.24 -17.86 61.87 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.01 7.59 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.496 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.3 t -121.63 -46.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 9.0 t-20 -54.57 -20.14 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 4.9 mp -78.45 -19.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.6 m -107.67 -21.58 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 89.7 mt -101.73 -40.14 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 88.92 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 186' ' ' GLN . 1.3 pp0? -134.2 85.87 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.486 ' H ' ' ND2' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -82.36 -101.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.565 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 187' ' ' HIS . 2.4 m -37.46 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.25 -51.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.6 t -47.0 -40.81 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.2 m -72.66 -79.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.9 m -160.2 -79.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.474 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.2 t -162.14 -49.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 193' ' ' THR . 7.6 mttm 54.1 -97.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.4 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -40.31 -63.47 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.05 -52.77 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.424 ' CG1' HG22 ' A' ' 180' ' ' VAL . 3.5 t -62.45 -19.24 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.28 -9.46 41.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -73.78 -11.03 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.4 t -130.43 6.13 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.424 HG22 ' CG1' ' A' ' 176' ' ' VAL . 14.6 t -125.84 -47.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.546 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.8 t30 -56.71 -18.16 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.09 -13.12 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.6 m -114.76 -17.77 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 74.6 mt -102.65 -38.87 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.2 tpmp? 88.55 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.212 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.76 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.4 OUTLIER -92.78 -102.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.602 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -38.17 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.26 -26.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 49.7 p -37.57 -58.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.504 ' O ' ' CB ' ' A' ' 192' ' ' THR . 2.4 p -100.85 -59.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.98 -12.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 194' ' ' LYS . 1.3 m -63.77 -68.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER -39.36 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.62 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.6 p-10 -40.5 -58.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -47.99 -54.63 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.84 -17.89 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.88 -7.81 43.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.516 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -73.46 -17.17 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 7.06 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 184' ' ' ILE . 2.4 t -122.11 -48.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.7 t30 -53.1 -20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 182' ' ' ILE . 2.2 mp -70.07 -8.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -114.47 -29.55 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.382 1.051 . . . . 0.0 110.412 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 3.4 mp -90.31 -37.49 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.78 -40.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 2.0 pp0? -138.43 87.61 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.4 OUTLIER -89.3 -92.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 174' ' ' ASN . 2.9 m -36.43 -36.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -55.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.5 t -64.99 -42.3 94.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.463 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.5 -51.19 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.3 m -167.01 -57.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.7 m -47.14 166.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.0 OUTLIER 72.19 102.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.622 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 59.0 t-20 -40.44 -56.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -47.17 -53.93 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.72 -19.59 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.4 -8.06 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.507 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 8.7 t-20 -72.03 -17.04 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 3.4 t -134.65 7.96 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 184' ' ' ILE . 2.3 t -121.84 -45.07 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.1 t30 -54.95 -19.31 6.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -78.59 -20.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.3 m -103.09 -20.03 14.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 63.9 mt -102.97 -44.67 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tptp 91.05 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.24 84.8 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.485 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.3 OUTLIER -97.56 -101.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.9 OUTLIER -38.35 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.7 t -40.45 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 81.4 p -38.33 -54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 27.9 m -39.7 -58.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 17.9 m -62.7 -59.6 4.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.375 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 2.1 m -50.1 164.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.402 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.1 OUTLIER 79.66 129.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.564 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 5.6 m120 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.5 ' CG ' ' CG2' ' A' ' 188' ' ' THR . 35.5 t30 75.52 -56.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.8 m-85 -73.29 -84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.02 -48.88 87.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 8.1 m-70 -50.7 -22.35 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 40.6 t30 -44.7 -52.38 8.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.3 t -44.0 -38.33 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.331 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 86.0 t -79.67 -37.42 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 53.9 t-20 -50.13 -48.24 53.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.6 mp -40.36 -29.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.6 m -93.89 -39.28 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 37.3 mm -63.46 -35.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.58 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.393 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.6 pp0? -132.73 83.06 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.506 ' O ' ' CG2' ' A' ' 190' ' ' THR . 0.3 OUTLIER -90.07 -110.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.615 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.5 ' CG2' ' CG ' ' A' ' 174' ' ' ASN . 2.2 m -38.13 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.8 t -36.29 -50.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -44.86 -82.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.433 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 54.4 m -157.08 -78.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 193' ' ' THR . 2.7 m -163.75 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 192' ' ' THR . 17.5 m 36.57 -102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 193' ' ' THR . 3.0 mttt -39.05 106.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.593 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.7 m120 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.568 ' N ' ' HE2' ' A' ' 187' ' ' HIS . 2.4 t30 77.75 -55.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.6 m-85 -75.01 -85.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.98 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.593 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.5 m-70 -56.27 -18.34 10.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.3 t30 -47.44 -52.54 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 40.4 t -49.19 -30.99 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 70.7 t -88.86 -27.85 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 184' ' ' ILE . 11.0 t-20 -62.22 -50.06 73.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -38.83 -32.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.4 m -80.86 -47.46 13.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 181' ' ' ASN . 13.5 mt -67.71 -52.39 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.204 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.1 mmtp 65.96 47.33 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.47 ' HB2' ' CG2' ' A' ' 184' ' ' ILE . 8.2 mt-30 -146.97 -51.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.568 ' HE2' ' N ' ' A' ' 174' ' ' ASN . 1.6 t60 -55.0 -104.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 187' ' ' HIS . 17.6 m -33.56 -37.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 110.393 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.7 t -48.43 -55.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 187' ' ' HIS . 5.3 t -44.31 -42.76 6.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 192' ' ' THR . 3.5 p -96.95 -88.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.445 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.91 -11.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 2.6 t -86.63 -179.17 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.448 ' CE ' ' HA ' ' A' ' 194' ' ' LYS . 0.0 OUTLIER -178.96 140.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.417 1.073 . . . . 0.0 110.988 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.606 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 18.8 t-20 -123.13 -44.89 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -48.15 -53.29 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.24 -17.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.06 -7.5 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.28 -18.23 61.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.73 7.43 4.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.505 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.3 t -121.36 -46.29 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.527 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 9.3 t-20 -54.44 -20.07 6.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.87 -21.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 23.5 m -106.47 -21.14 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.505 ' CD1' ' CG1' ' A' ' 180' ' ' VAL . 95.4 mt -101.29 -41.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.0 OUTLIER 89.1 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -135.21 86.82 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.468 ' H ' ' ND2' ' A' ' 181' ' ' ASN . 0.4 OUTLIER -85.89 -97.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.61 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 187' ' ' HIS . 10.0 m -36.85 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -43.45 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 188' ' ' THR . 6.2 p -38.21 -52.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 21.2 m -44.19 -58.62 2.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 16.2 m -61.76 -57.52 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 1.1 m -48.15 149.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -177.91 163.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.425 1.078 . . . . 0.0 110.942 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' ASN . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.621 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 6.9 p30 -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 174' ' ' ASN . 3.0 m-85 -49.09 -52.11 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.92 -16.96 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.16 -6.13 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.653 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.91 -20.21 60.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.3 6.1 5.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.61 -49.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.539 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -55.97 -18.92 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.5 mm -77.78 -11.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.4 m -115.06 -22.76 9.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.64 -37.89 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 67.61 27.86 7.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.415 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 2.5 mt-30 -148.27 -88.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 41.58 -106.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -33.46 -39.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' THR . 11.9 t -48.78 -55.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 187' ' ' HIS . 5.3 t -38.14 -42.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 26.3 m -40.52 -66.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 17.2 p -101.3 -54.79 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.471 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 13.3 t 46.18 -160.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 193' ' ' THR . 1.3 mttp 166.35 -67.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.083 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.498 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 0.5 OUTLIER -39.08 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -77.16 -64.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.58 -57.81 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 173' ' ' ASN . 15.4 m-70 -49.28 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 63.9 t30 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 43.0 t -44.95 -37.96 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 177' ' ' HIS . 83.2 t -85.17 -30.9 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 48.2 t30 -65.57 -20.34 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 182' ' ' ILE . 3.0 mm -67.27 -9.85 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 15.6 m -109.96 -22.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.404 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 16.7 mt -94.83 -45.44 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.5 tptp 73.46 40.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 187' ' ' HIS . 56.3 mt-30 -152.73 -107.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.7 t60 37.75 -101.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 88.2 m -35.48 -45.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -42.56 -51.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.9 t -47.51 -40.54 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 188' ' ' THR . 68.6 m -68.62 -48.58 63.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.2 m -59.33 -55.88 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.472 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 1.9 m -141.34 167.21 22.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.3 OUTLIER 85.35 97.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.584 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -121.24 -38.64 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -80.6 -61.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.34 -44.6 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.584 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.8 m170 -70.4 -7.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.072 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 65.9 t30 -60.88 -48.15 83.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.0 t -45.17 -39.02 5.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 108.326 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 56.7 t -84.09 -29.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 178' ' ' ASN . 44.6 t-20 -58.67 -44.07 90.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 1.8 mp -38.39 -31.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.3 m -83.49 -50.89 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 45.1 mt -60.27 -39.17 79.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 91.52 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 1.7 pm0 -138.4 86.78 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 190' ' ' THR . 1.8 t60 -91.83 -99.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.7 OUTLIER -36.83 -51.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 188' ' ' THR . 26.9 t -41.32 -48.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.8 t -44.19 -40.94 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 192' ' ' THR . 9.0 m -47.57 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.9 -12.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 1.2 m -52.45 141.46 19.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.072 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.593 ' HZ1' ' N ' ' A' ' 195' ' ' GLY . 0.1 OUTLIER 174.56 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . 0.593 ' N ' ' HZ1' ' A' ' 194' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.57 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.509 ' HB3' ' O ' ' A' ' 173' ' ' ASN . 1.3 t-20 66.51 -60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 173' ' ' ASN . 2.4 m-85 -73.24 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.1 -30.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 5.3 m-70 -75.66 -2.06 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.599 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 14.1 t-20 -67.0 -39.98 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.7 t -55.37 -21.69 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.0 -21.27 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 177' ' ' HIS . 4.1 t30 -78.7 -44.1 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 5.9 mt -37.84 -56.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.09 -46.11 16.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.465 ' CG2' ' CG ' ' A' ' 186' ' ' GLN . 19.5 mt -77.92 -63.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.455 ' CE ' HG23 ' A' ' 189' ' ' VAL . 0.0 OUTLIER 73.15 54.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.465 ' CG ' ' CG2' ' A' ' 184' ' ' ILE . 1.6 pp0? -132.35 -42.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.464 ' N ' ' CD ' ' A' ' 186' ' ' GLN . 0.1 OUTLIER -82.16 -85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.628 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.502 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 79.3 m -36.83 -32.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.455 HG23 ' CE ' ' A' ' 185' ' ' LYS . 55.9 t -60.46 -58.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.3 t -58.0 -47.68 82.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.469 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 190' ' ' THR . 0.9 OUTLIER 168.44 -65.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 191' ' ' THR . 1.1 m -163.45 -68.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.477 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 4.6 t -164.28 -45.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 110.425 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.05 -165.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.999 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.41 ' N ' ' HB ' ' A' ' 176' ' ' VAL . 2.6 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 p-10 -51.46 -47.08 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.31 -46.87 88.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.41 ' HB ' ' N ' ' A' ' 173' ' ' ASN . 18.3 t -53.5 -20.64 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -66.54 -12.33 57.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.635 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -68.99 -17.03 63.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.21 8.38 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 184' ' ' ILE . 2.4 t -123.12 -43.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 7.8 t-20 -55.12 -19.27 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.387 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.84 -16.98 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 59.2 m -114.26 -17.24 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.558 ' CD1' ' CG1' ' A' ' 180' ' ' VAL . 55.4 mt -106.04 -39.74 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.33 39.63 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.6 mt-30 -155.44 -44.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.434 ' CD2' HG13 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.96 155.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.665 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.459 HG22 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.64 -52.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 188' ' ' THR . 39.3 t -69.5 -55.41 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -43.06 -63.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.5 p -39.66 -59.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 12.7 m -160.45 -69.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 14.7 t -174.16 -51.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.2 OUTLIER 40.83 81.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.916 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 7.8 t-20 85.25 -44.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.28 -83.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.3 t -54.85 -21.23 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER -74.42 -3.6 31.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 181' ' ' ASN . 9.3 t30 -65.91 -48.11 72.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.82 -28.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 184' ' ' ILE . 21.5 t -92.46 -37.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 2.3 t-20 -48.93 -44.4 40.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.43 ' CD1' ' OD1' ' A' ' 178' ' ' ASN . 1.1 mp -46.83 -24.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 181' ' ' ASN . 94.6 m -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 180' ' ' VAL . 3.1 mp -75.25 -48.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER 80.23 19.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.346 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -148.06 -45.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -39.12 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.521 ' N ' ' HE2' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 75.23 -53.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 188' ' ' THR . 72.0 t -73.22 -54.0 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 191' ' ' THR . 1.8 t -38.02 -50.76 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 192' ' ' THR . 98.4 m -38.9 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.526 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.93 -11.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.413 1.07 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 3.0 m -39.26 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -39.43 114.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 177' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 8.7 t30 164.92 -61.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.1 t80 -66.69 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.41 -48.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 173' ' ' ASN . 16.9 m-70 -60.14 -16.18 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 58.5 t30 -49.66 -50.32 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . 0.409 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 31.6 t -44.73 -27.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 184' ' ' ILE . 4.8 t -100.76 -29.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 27.7 t-20 -64.88 -17.94 64.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 1.4 mp -63.35 -48.81 85.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -49.37 24.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 1.3 mp -61.86 -42.99 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.67 -42.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.0 OUTLIER -124.86 81.91 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 190' ' ' THR . 60.0 t-80 -89.86 -80.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.634 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 53.2 m -40.59 -34.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -48.32 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.0 OUTLIER -51.45 -43.13 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.62 -51.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 3.7 m -161.21 -58.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 194' ' ' LYS . 1.2 m -152.12 -65.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER -39.37 124.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 179.899 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.613 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.8 p30 -39.46 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.87 -50.38 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.22 -18.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.78 -8.7 50.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.535 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.504 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.3 t30 -71.35 -16.61 62.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.6 t -134.73 7.79 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 108.387 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 184' ' ' ILE . 2.3 t -122.28 -45.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.538 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -54.96 -18.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -77.69 -21.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.1 m -106.2 -17.56 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.462 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.463 HD11 ' CG1' ' A' ' 180' ' ' VAL . 72.6 mt -105.21 -43.86 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 71.28 28.85 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 3.2 tt0 -155.28 -82.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.575 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 38.8 -102.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 1.2 m -35.54 -57.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.362 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 54.1 t -39.61 -48.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 2.6 t -38.43 -38.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 192' ' ' THR . 93.7 m -61.84 -76.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.0 m 83.88 -12.02 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.471 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 1.4 m -86.39 154.87 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.72 156.47 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.584 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 2.2 t30 -51.37 -65.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.38 -47.52 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.65 -21.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.394 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -65.13 -13.04 57.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.642 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -69.12 -16.84 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.85 8.2 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 184' ' ' ILE . 2.4 t -123.23 -43.59 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 8.1 t-20 -54.84 -19.07 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.68 -14.66 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.23 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 65.6 m -114.71 -25.23 8.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 180' ' ' VAL . 1.9 mp -99.9 -38.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.62 39.41 30.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 34.3 mt-30 -155.33 -43.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 186' ' ' GLN . 0.1 OUTLIER -37.26 154.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.563 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.85 -53.12 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 188' ' ' THR . 38.0 t -69.72 -13.94 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.2 p -45.75 -31.61 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.5 p -139.95 -73.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -175.87 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.2 t -168.94 -49.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.449 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.1 OUTLIER 51.08 -164.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.957 179.961 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.1 m120 -62.34 -57.36 11.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.47 -46.61 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.32 -19.93 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.63 -11.22 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.88 -16.37 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.93 8.36 3.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.239 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.55 -44.58 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 56.0 t30 -54.36 -18.99 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.175 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.2 -17.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 3.0 m -115.4 -20.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 1.4 mp -100.13 -38.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 50.18 43.66 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.2 mt-30 -155.32 -44.26 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 188' ' ' THR . 9.0 m-70 -38.75 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 76.31 -52.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.468 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 188' ' ' THR . 75.7 t -67.68 -33.62 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.2 t -71.27 -43.65 66.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 52.0 m -45.85 -40.3 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 36.4 p -77.41 -73.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 14.9 t -65.68 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 163.18 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.063 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m120 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -38.99 -35.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.52 -63.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.58 -20.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 173' ' ' ASN . 14.4 m170 -79.17 1.86 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.36 -63.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.25 -26.18 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.53 -32.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 3.7 t-20 -52.64 -38.63 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 182' ' ' ILE . 2.5 mp -62.4 -14.44 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.7 m -103.54 -38.5 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.8 OUTLIER -76.59 -42.49 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER 82.15 20.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -155.1 -43.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 177' ' ' HIS . 0.1 OUTLIER -39.03 152.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.606 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 79.2 -52.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 188' ' ' THR . 94.0 t -64.04 -26.96 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.5 p -39.61 -45.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 90.6 m -66.62 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 2.9 m -158.28 -66.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 194' ' ' LYS . 1.1 t -175.69 160.12 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 193' ' ' THR . 0.3 OUTLIER 174.75 67.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.96 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.558 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.0 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.502 ' OD1' ' CG2' ' A' ' 188' ' ' THR . 17.3 t-20 73.39 -57.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.7 m-85 -72.11 -85.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.21 -46.05 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.2 m-70 -53.78 -20.24 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 41.5 t30 -46.8 -46.58 20.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 41.6 t -46.84 -34.69 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.292 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 177' ' ' HIS . 93.4 t -86.29 -30.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 24.6 t30 -59.12 -45.58 90.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 2.4 mp -39.14 -45.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 7.7 m -60.05 -67.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.357 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 9.4 mt -51.06 -47.16 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 84.46 31.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 1.4 tt0 -155.09 -87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.549 ' N ' ' CG ' ' A' ' 186' ' ' GLN . 0.4 OUTLIER 32.42 -105.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.707 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 174' ' ' ASN . 2.7 m -33.05 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.464 ' CG1' ' OE1' ' A' ' 186' ' ' GLN . 1.2 t -39.53 -29.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 187' ' ' HIS . 35.1 p -34.65 -64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.3 p -132.07 -90.89 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.4 m -163.6 -61.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.3 m -139.97 165.74 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 193' ' ' THR . 1.3 mttm 69.96 170.89 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.362 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.568 ' HA ' ' CE1' ' A' ' 177' ' ' HIS . 1.8 m120 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 1.3 t30 77.59 -56.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -71.27 -81.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.75 -37.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -61.61 -20.04 62.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 182' ' ' ILE . 44.0 t30 -47.25 -53.13 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -47.61 -35.92 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 177' ' ' HIS . 13.5 t -83.63 -29.83 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 56.3 t30 -57.77 -54.21 49.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -40.02 -30.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 181' ' ' ASN . 8.3 m -88.54 -44.08 10.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 181' ' ' ASN . 52.4 mt -63.22 -45.0 99.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.45 27.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 8.7 mt-30 -155.02 -44.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -39.95 154.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.67 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.482 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 78.41 -52.92 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.482 ' N ' HG22 ' A' ' 188' ' ' THR . 43.0 t -67.23 -59.71 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 177' ' ' HIS . 2.4 m-80 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 24.5 t-20 75.55 -56.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.6 m-85 -73.24 -85.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.56 -47.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 19.2 m80 -51.77 -21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.92 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.2 t30 -45.05 -50.44 10.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.492 ' HA ' HD13 ' A' ' 182' ' ' ILE . 37.2 t -45.86 -37.96 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 55.8 t -84.54 -30.01 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 37.4 t30 -59.03 -43.49 91.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.1 mp -39.67 -47.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -67.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 82.1 mt -42.72 -36.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 88.33 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 78.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 190' ' ' THR . 3.2 t60 -83.94 -98.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.534 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.6 OUTLIER -38.11 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 187' ' ' HIS . 56.0 t -40.95 -29.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' THR . . . . . 1.046 HG23 ' O ' ' A' ' 187' ' ' HIS . 69.8 p . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.687 ' ND2' HG23 ' A' ' 188' ' ' THR . 30.7 t-20 70.98 -58.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.4 m-85 -71.93 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.73 -47.62 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 173' ' ' ASN . 15.3 m80 -52.64 -21.13 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.5 t30 -45.17 -52.25 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.5 t -46.13 -37.1 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.247 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 184' ' ' ILE . 21.7 t -85.45 -30.36 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 178' ' ' ASN . 57.7 t-20 -59.84 -35.35 74.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mt -48.24 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -53.7 -68.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 180' ' ' VAL . 1.6 mp -41.07 -48.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.8 OUTLIER 85.43 21.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 1.6 mt-30 -145.34 -98.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.606 ' HA ' HG22 ' A' ' 190' ' ' THR . 1.8 m170 53.15 -95.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.687 HG23 ' ND2' ' A' ' 174' ' ' ASN . 3.2 m -36.73 -32.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 187' ' ' HIS . 60.0 t -87.64 -48.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.606 HG22 ' HA ' ' A' ' 187' ' ' HIS . 1.2 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 6.1 m-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CG ' HG21 ' A' ' 188' ' ' THR . 55.9 t30 76.67 -57.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.35 -40.87 57.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -60.61 -20.06 59.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.602 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 1.016 ' O ' HD12 ' A' ' 182' ' ' ILE . 53.2 t30 -46.99 -51.6 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -42.88 -29.15 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 108.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.795 ' CG1' HD12 ' A' ' 184' ' ' ILE . 6.3 t -100.28 -33.25 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 185' ' ' LYS . 1.1 t30 -60.72 -18.59 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 1.016 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mp -71.48 -55.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -64.96 -50.0 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.795 HD12 ' CG1' ' A' ' 180' ' ' VAL . 57.1 mt -68.96 -38.9 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.88 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.565 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -133.44 84.16 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.412 ' C ' ' CD2' ' A' ' 187' ' ' HIS . 9.7 t-160 -97.83 -81.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 174' ' ' ASN . 0.4 OUTLIER -40.73 -37.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.4 -60.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.773 ' ND2' HG23 ' A' ' 188' ' ' THR . 5.8 t30 72.7 -57.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 3.2 m-85 -73.95 -81.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.88 -51.27 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 173' ' ' ASN . 14.6 m80 -49.4 -22.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.531 ' O ' HD12 ' A' ' 182' ' ' ILE . 45.6 t30 -43.82 -53.41 6.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.391 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -43.14 -38.56 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 177' ' ' HIS . 69.0 t -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.0 t30 -56.9 -40.61 76.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.531 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.9 mt -40.2 -69.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.79 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 185' ' ' LYS . 14.4 mt -90.61 -77.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.526 ' N ' HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.7 56.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -147.31 -52.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.4 OUTLIER -53.82 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.689 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.773 HG23 ' ND2' ' A' ' 174' ' ' ASN . 1.8 m -35.57 -34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.2 t -46.54 -47.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 4.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 177' ' ' HIS . 1.4 m-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 18.4 t-20 77.38 -55.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -75.73 -85.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.46 -47.19 93.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.496 ' CD2' ' OD1' ' A' ' 173' ' ' ASN . 17.7 m80 -52.63 -20.93 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.618 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 182' ' ' ILE . 50.0 t30 -48.11 -32.93 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 182' ' ' ILE . 11.4 t -55.84 -38.05 69.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 177' ' ' HIS . 72.2 t -96.51 -28.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -66.97 -41.58 86.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 178' ' ' ASN . 6.8 mt -40.48 -69.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 182' ' ' ILE . 0.9 OUTLIER -38.16 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 27.3 mt -87.71 -76.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.66 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -134.93 -63.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.1 OUTLIER -53.53 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.536 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.442 HG23 ' OD1' ' A' ' 174' ' ' ASN . 15.8 m -37.1 -32.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 187' ' ' HIS . 33.5 t -68.61 -58.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 174' ' ' ASN . 28.3 p-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.862 ' HB2' HG23 ' A' ' 188' ' ' THR . 23.3 p30 -38.36 -31.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.1 t80 -70.12 -63.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.89 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 181' ' ' ASN . 1.2 m80 -57.57 -18.27 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.55 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.4 t-20 -48.37 -51.38 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -46.56 -26.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 108.236 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.571 HG12 HD12 ' A' ' 184' ' ' ILE . 19.3 t -99.04 -29.74 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 177' ' ' HIS . 12.3 t-20 -58.12 -25.15 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 0.8 OUTLIER -75.02 -10.28 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 41.7 m -114.76 -18.16 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.617 HG22 ' HB2' ' A' ' 186' ' ' GLN . 48.4 mt -104.58 -40.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.8 mmtp 51.64 57.54 6.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.617 ' HB2' HG22 ' A' ' 184' ' ' ILE . 1.6 mt-30 -150.76 -50.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 0.4 OUTLIER -56.96 -103.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 174' ' ' ASN . 1.6 m -35.17 -45.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 50.4 t -41.84 -51.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.7 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' A' ' 177' ' ' HIS . 7.9 t30 -40.14 -52.95 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -49.02 -53.3 20.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.71 -16.85 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.04 -7.72 48.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.558 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -73.02 -17.65 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.2 t -131.69 7.05 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.337 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.67 -47.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 13.4 t30 -53.47 -20.61 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 182' ' ' ILE . 1.3 mp -70.75 -15.11 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -113.88 -21.7 10.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.716 HD12 ' CG1' ' A' ' 180' ' ' VAL . 87.0 mt -94.66 -36.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER 87.54 -46.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -136.05 86.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.3 OUTLIER -86.58 -95.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.56 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -36.17 -37.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.424 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.23 -56.55 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 17.6 m-80 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 14.1 t-20 81.51 -52.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.9 OUTLIER -78.67 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.93 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.56 -55.43 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.495 ' CB ' ' CD2' ' A' ' 187' ' ' HIS . 8.3 m80 -52.04 -21.55 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 1.012 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.8 t-20 -44.89 -51.73 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.414 ' HA ' HD13 ' A' ' 182' ' ' ILE . 35.0 t -44.51 -38.16 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 54.9 t -87.07 -29.8 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.594 1.184 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.8 t-20 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 1.012 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.2 mp -39.24 -43.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 4.8 m -79.19 -51.88 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 48.2 mt -50.21 -36.52 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tpmp? 89.07 -44.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.233 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.1 pp0? -140.41 89.03 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 1.03 ' O ' HG23 ' A' ' 190' ' ' THR . 2.0 t60 -85.98 -101.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -37.77 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.6 -26.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 187' ' ' HIS . 47.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' A' ' 188' ' ' THR . 2.2 p-10 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -75.32 -61.77 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.76 -56.21 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 173' ' ' ASN . 18.7 m-70 -51.95 -21.04 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.9 t-20 -45.83 -52.0 11.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 44.1 t -44.19 -33.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.211 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 184' ' ' ILE . 2.4 t -93.06 -31.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.7 t30 -55.2 -34.31 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.0 OUTLIER -69.89 -11.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.1 m -111.21 -26.09 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 187' ' ' HIS . 10.4 mt -90.56 -40.22 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 81.57 20.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.452 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.8 mt-30 -146.13 -98.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.561 ' CD2' HD12 ' A' ' 184' ' ' ILE . 1.3 m-70 46.99 -94.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 174' ' ' ASN . 83.7 m -37.83 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.5 t -88.73 -47.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.403 1.065 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 175' ' ' PHE . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.607 ' HB3' HG21 ' A' ' 188' ' ' THR . 3.3 p-10 -38.51 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 173' ' ' ASN . 3.5 m-85 -70.68 -58.68 3.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.9 -47.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.5 m170 -61.78 -17.26 55.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 181' ' ' ASN . 41.9 t30 -49.73 -51.49 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.5 t -43.57 -28.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 178' ' ' ASN . 3.3 t -99.45 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.2 t30 -55.59 -25.27 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -74.86 -9.83 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -114.3 -26.27 8.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 85.4 mt -97.45 -36.07 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER 92.14 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.41 84.27 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.678 ' O ' HG22 ' A' ' 190' ' ' THR . 0.8 OUTLIER -90.68 -79.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.654 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -57.39 -33.83 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.33 -31.21 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.3 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 177' ' ' HIS . 15.3 p-10 -53.03 -42.81 66.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.64 -51.78 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 29.0 t -60.81 -18.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.18 -7.55 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.5 t-20 -72.24 -17.86 61.87 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.01 7.59 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.945 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.63 -46.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 3.6 t30 -54.57 -20.14 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 4.9 mp -78.45 -19.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.6 m -107.67 -21.58 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.945 HD12 ' CG1' ' A' ' 180' ' ' VAL . 89.7 mt -101.73 -40.14 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 88.92 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 186' ' ' GLN . 1.3 pp0? -134.2 85.87 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.488 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -82.36 -101.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.565 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 187' ' ' HIS . 2.4 m -37.46 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.25 -51.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.4 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -40.31 -63.47 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.05 -52.77 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 180' ' ' VAL . 3.5 t -62.45 -19.24 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.28 -9.46 41.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.444 ' O ' HD13 ' A' ' 182' ' ' ILE . 5.9 t30 -73.78 -11.03 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.4 t -130.43 6.13 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 176' ' ' VAL . 14.6 t -125.84 -47.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.547 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.8 t30 -56.71 -18.16 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -74.09 -13.12 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.6 m -114.76 -17.77 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.556 HD12 HG12 ' A' ' 180' ' ' VAL . 74.6 mt -102.65 -38.87 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.2 tpmp? 88.55 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.212 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.417 ' H ' HG22 ' A' ' 184' ' ' ILE . 3.2 mp0 -129.76 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 1.019 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -92.78 -102.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.602 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -38.17 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.26 -26.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 187' ' ' HIS . 49.7 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.62 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.6 p-10 -40.5 -58.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -47.99 -54.63 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.84 -17.89 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.88 -7.81 43.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.516 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -73.46 -17.17 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 7.06 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.546 ' CG1' HD13 ' A' ' 184' ' ' ILE . 2.4 t -122.11 -48.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.7 t30 -53.1 -20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.2 mp -70.07 -8.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -114.47 -29.55 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.382 1.051 . . . . 0.0 110.412 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.546 HD13 ' CG1' ' A' ' 180' ' ' VAL . 3.4 mp -90.31 -37.49 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.78 -40.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.537 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -138.43 87.61 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.4 OUTLIER -89.3 -92.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 174' ' ' ASN . 2.9 m -36.43 -36.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -55.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.622 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 59.0 t-20 -40.44 -56.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -47.17 -53.93 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.72 -19.59 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.4 -8.06 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.514 ' O ' HD11 ' A' ' 182' ' ' ILE . 8.7 t-20 -72.03 -17.04 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 3.4 t -134.65 7.96 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.84 -45.07 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.1 t30 -54.95 -19.31 6.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -78.59 -20.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.3 m -103.09 -20.03 14.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.69 HG22 ' H ' ' A' ' 186' ' ' GLN . 63.9 mt -102.97 -44.67 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tptp 91.05 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 184' ' ' ILE . 8.2 mp0 -135.24 84.8 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 1.017 ' O ' HG23 ' A' ' 190' ' ' THR . 0.3 OUTLIER -97.56 -101.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.9 OUTLIER -38.35 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.7 t -40.45 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' THR . . . . . 1.017 HG23 ' O ' ' A' ' 187' ' ' HIS . 81.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 1.4 m-80 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.822 ' CG ' HG21 ' A' ' 188' ' ' THR . 35.5 t30 75.52 -56.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.8 m-85 -73.29 -84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.02 -48.88 87.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 180' ' ' VAL . 19.6 m80 -50.7 -22.35 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.647 ' O ' HD12 ' A' ' 182' ' ' ILE . 40.6 t30 -44.7 -52.38 8.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.3 t -44.0 -38.33 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.331 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 86.0 t -79.67 -37.42 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 53.9 t-20 -50.13 -48.24 53.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.6 mp -40.36 -29.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.6 m -93.89 -39.28 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 37.3 mm -63.46 -35.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.58 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.393 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.73 83.06 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 1.025 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -90.07 -110.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.615 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.822 HG21 ' CG ' ' A' ' 174' ' ' ASN . 2.2 m -38.13 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.8 t -36.29 -50.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' THR . . . . . 1.025 HG22 ' O ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.433 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.493 ' OD1' ' CD2' ' A' ' 177' ' ' HIS . 1.3 m-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.491 ' N ' ' NE2' ' A' ' 187' ' ' HIS . 2.4 t30 77.75 -55.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.6 m-85 -75.01 -85.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.98 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.493 ' CD2' ' OD1' ' A' ' 173' ' ' ASN . 17.3 m80 -56.27 -18.34 10.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.3 t30 -47.44 -52.54 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 40.4 t -49.19 -30.99 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 70.7 t -88.86 -27.85 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 184' ' ' ILE . 11.0 t-20 -62.22 -50.06 73.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 1.009 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -38.83 -32.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.4 m -80.86 -47.46 13.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 186' ' ' GLN . 13.5 mt -67.71 -52.39 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.204 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.1 mmtp 65.96 47.33 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 184' ' ' ILE . 8.2 mt-30 -146.97 -51.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.491 ' NE2' ' N ' ' A' ' 174' ' ' ASN . 1.6 t60 -55.0 -104.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 187' ' ' HIS . 17.6 m -33.56 -37.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 110.393 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.7 t -48.43 -55.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 187' ' ' HIS . 5.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 177' ' ' HIS . 18.8 t-20 -123.13 -44.89 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -48.15 -53.29 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.24 -17.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.06 -7.5 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.28 -18.23 61.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.73 7.43 4.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.936 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.36 -46.29 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.527 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 3.9 t30 -54.44 -20.07 6.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 182' ' ' ILE . 4.2 mp -77.87 -21.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 23.5 m -106.47 -21.14 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.936 HD12 ' CG1' ' A' ' 180' ' ' VAL . 95.4 mt -101.29 -41.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.0 OUTLIER 89.1 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.473 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -135.21 86.82 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -85.89 -97.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.61 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 187' ' ' HIS . 10.0 m -36.85 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -43.45 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 187' ' ' HIS . 6.2 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' ASN . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.621 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 6.9 p30 -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 174' ' ' ASN . 3.0 m-85 -49.09 -52.11 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.92 -16.96 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.16 -6.13 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.653 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.91 -20.21 60.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.3 6.1 5.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.604 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -119.61 -49.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.539 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -55.97 -18.92 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.751 ' N ' HD13 ' A' ' 182' ' ' ILE . 1.5 mm -77.78 -11.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.5 ' C ' HD12 ' A' ' 184' ' ' ILE . 6.4 m -115.06 -22.76 9.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -103.64 -37.89 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 67.61 27.86 7.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.554 ' HB2' HG22 ' A' ' 184' ' ' ILE . 2.5 mt-30 -148.27 -88.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 41.58 -106.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -33.46 -39.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 187' ' ' HIS . 11.9 t -48.78 -55.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 187' ' ' HIS . 5.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.613 ' HB2' HG23 ' A' ' 188' ' ' THR . 0.5 OUTLIER -39.08 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -77.16 -64.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.58 -57.81 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 173' ' ' ASN . 8.5 m80 -49.28 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 63.9 t30 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 43.0 t -44.95 -37.96 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 177' ' ' HIS . 83.2 t -85.17 -30.9 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 48.2 t30 -65.57 -20.34 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.552 ' N ' HD13 ' A' ' 182' ' ' ILE . 3.0 mm -67.27 -9.85 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 15.6 m -109.96 -22.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 16.7 mt -94.83 -45.44 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.5 tptp 73.46 40.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 187' ' ' HIS . 56.3 mt-30 -152.73 -107.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 t60 37.75 -101.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 174' ' ' ASN . 88.2 m -35.48 -45.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -42.56 -51.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.9 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.535 ' HA ' ' CE1' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -121.24 -38.64 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -80.6 -61.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.34 -44.6 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.535 ' CE1' ' HA ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -70.4 -7.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.072 . . . . 0.0 109.605 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.538 ' O ' HD12 ' A' ' 182' ' ' ILE . 65.9 t30 -60.88 -48.15 83.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.0 t -45.17 -39.02 5.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 108.326 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 56.7 t -84.09 -29.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 178' ' ' ASN . 44.6 t-20 -58.67 -44.07 90.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.8 mp -38.39 -31.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.3 m -83.49 -50.89 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 186' ' ' GLN . 45.1 mt -60.27 -39.17 79.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 91.52 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.589 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -138.4 86.78 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 t60 -91.83 -99.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.7 OUTLIER -36.83 -51.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 188' ' ' THR . 26.9 t -41.32 -48.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 175' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.772 ' OD1' HG23 ' A' ' 188' ' ' THR . 6.4 t30 66.51 -60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 173' ' ' ASN . 2.4 m-85 -73.24 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.1 -30.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 181' ' ' ASN . 14.6 m80 -75.66 -2.06 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.599 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.667 ' O ' HD12 ' A' ' 182' ' ' ILE . 14.1 t-20 -67.0 -39.98 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.567 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.7 t -55.37 -21.69 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.0 -21.27 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 177' ' ' HIS . 4.1 t30 -78.7 -44.1 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 178' ' ' ASN . 5.9 mt -37.84 -56.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.09 -46.11 16.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.465 ' CG2' ' CG ' ' A' ' 186' ' ' GLN . 19.5 mt -77.92 -63.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.45 ' CE ' HG22 ' A' ' 189' ' ' VAL . 0.0 OUTLIER 73.15 54.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.465 ' CG ' ' CG2' ' A' ' 184' ' ' ILE . 1.6 pp0? -132.35 -42.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.464 ' N ' ' CD ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -82.16 -85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.628 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.772 HG23 ' OD1' ' A' ' 174' ' ' ASN . 79.3 m -36.83 -32.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 55.9 t -60.46 -58.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.3 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.469 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.409 ' N ' ' HB ' ' A' ' 176' ' ' VAL . 2.6 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 p-10 -51.46 -47.08 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.31 -46.87 88.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.409 ' HB ' ' N ' ' A' ' 173' ' ' ASN . 18.3 t -53.5 -20.64 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -66.54 -12.33 57.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.635 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -68.99 -17.03 63.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.21 8.38 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 1.059 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.4 t -123.12 -43.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.523 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 31.3 t30 -55.12 -19.27 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.387 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -76.84 -16.98 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 59.2 m -114.26 -17.24 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 1.059 HD12 ' CG1' ' A' ' 180' ' ' VAL . 55.4 mt -106.04 -39.74 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.33 39.63 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.6 mt-30 -155.44 -44.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 188' ' ' THR . 2.0 m170 -37.96 155.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.665 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.64 -52.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 188' ' ' THR . 39.3 t -69.5 -55.41 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.625 ' HA ' ' CE1' ' A' ' 177' ' ' HIS . 7.8 t-20 85.25 -44.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.28 -83.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.3 t -54.85 -21.23 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.656 ' CE1' ' HB3' ' A' ' 187' ' ' HIS . 0.0 OUTLIER -74.42 -3.6 31.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 181' ' ' ASN . 9.3 t30 -65.91 -48.11 72.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.82 -28.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.826 HG12 HD11 ' A' ' 184' ' ' ILE . 21.5 t -92.46 -37.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 12.9 t30 -48.93 -44.4 40.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -46.83 -24.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 181' ' ' ASN . 94.6 m -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 180' ' ' VAL . 3.1 mp -75.25 -48.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER 80.23 19.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.346 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -148.06 -45.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.656 ' HB3' ' CE1' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -39.12 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.597 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 75.23 -53.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 188' ' ' THR . 72.0 t -73.22 -54.0 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.945 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.515 ' HB3' ' CG ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.403 ' HA ' ' OG1' ' A' ' 188' ' ' THR . 8.7 t30 164.92 -61.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.1 t80 -66.69 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.41 -48.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.623 ' HB3' ' CE1' ' A' ' 187' ' ' HIS . 16.9 m-70 -60.14 -16.18 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 1.063 ' O ' HD12 ' A' ' 182' ' ' ILE . 58.5 t30 -49.66 -50.32 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 31.6 t -44.73 -27.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 184' ' ' ILE . 4.8 t -100.76 -29.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 27.7 t-20 -64.88 -17.94 64.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 1.063 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.4 mp -63.35 -48.81 85.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -49.37 24.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 1.3 mp -61.86 -42.99 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.67 -42.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.482 ' N ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -124.86 81.91 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.623 ' CE1' ' HB3' ' A' ' 177' ' ' HIS . 7.9 t60 -89.86 -80.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.634 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 174' ' ' ASN . 53.2 m -40.59 -34.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -48.32 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.613 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.8 p30 -39.46 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.87 -50.38 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.22 -18.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.78 -8.7 50.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.535 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.536 ' O ' HD11 ' A' ' 182' ' ' ILE . 6.3 t30 -71.35 -16.61 62.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.6 t -134.73 7.79 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 108.387 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.669 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -122.28 -45.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.537 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -54.96 -18.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.536 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -77.69 -21.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.1 m -106.2 -17.56 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.462 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.669 HD12 ' CG1' ' A' ' 180' ' ' VAL . 72.6 mt -105.21 -43.86 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 71.28 28.85 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 3.2 tt0 -155.28 -82.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER 38.8 -102.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 1.2 m -35.54 -57.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.362 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 54.1 t -39.61 -48.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 190' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.6 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.492 ' N ' HD21 ' A' ' 173' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.584 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 2.2 t30 -51.37 -65.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.38 -47.52 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.65 -21.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.394 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.678 ' CE1' HG21 ' A' ' 188' ' ' THR . 0.0 OUTLIER -65.13 -13.04 57.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.642 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -69.12 -16.84 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.85 8.2 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -123.23 -43.59 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 33.8 t30 -54.84 -19.07 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -75.68 -14.66 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.406 ' C ' HD12 ' A' ' 184' ' ' ILE . 65.6 m -114.71 -25.23 8.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.809 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -99.9 -38.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.62 39.41 30.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 34.3 mt-30 -155.33 -43.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.426 ' CD2' HG11 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.26 154.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.563 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.678 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.85 -53.12 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.494 ' N ' HG22 ' A' ' 188' ' ' THR . 38.0 t -69.72 -13.94 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.996 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.1 m120 -62.34 -57.36 11.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.47 -46.61 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.32 -19.93 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.63 -11.22 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.88 -16.37 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.93 8.36 3.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.239 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.474 HG13 HD13 ' A' ' 184' ' ' ILE . 2.3 t -123.55 -44.58 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 56.0 t30 -54.36 -18.99 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.175 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.3 mp -73.2 -17.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.55 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.0 m -115.4 -20.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 183' ' ' THR . 1.4 mp -100.13 -38.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 50.18 43.66 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.2 mt-30 -155.32 -44.26 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 188' ' ' THR . 2.2 m80 -38.75 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 76.31 -52.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.468 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 188' ' ' THR . 75.7 t -67.68 -33.62 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m120 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -38.99 -35.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.52 -63.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.58 -20.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 173' ' ' ASN . 14.4 m170 -79.17 1.86 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.36 -63.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.25 -26.18 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER -89.53 -32.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 17.7 t30 -52.64 -38.63 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -62.4 -14.44 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.7 m -103.54 -38.5 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.8 OUTLIER -76.59 -42.49 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER 82.15 20.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.456 ' HG2' ' CG2' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -155.1 -43.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 177' ' ' HIS . 0.0 OUTLIER -39.03 152.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.606 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 79.2 -52.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.489 ' N ' HG22 ' A' ' 188' ' ' THR . 94.0 t -64.04 -26.96 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.0 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 188' ' ' THR . 17.3 t-20 73.39 -57.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.7 m-85 -72.11 -85.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.21 -46.05 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 177' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.2 m-70 -53.78 -20.24 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 178' ' ' ASN . . . . . 0.924 ' O ' HD12 ' A' ' 182' ' ' ILE . 41.5 t30 -46.8 -46.58 20.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 179' ' ' CYS . . . . . 0.483 ' HA ' HD13 ' A' ' 182' ' ' ILE . 41.6 t -46.84 -34.69 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.292 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 177' ' ' HIS . 93.4 t -86.29 -30.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 24.6 t30 -59.12 -45.58 90.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 182' ' ' ILE . . . . . 0.924 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.4 mp -39.14 -45.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 7.7 m -60.05 -67.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.357 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 184' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 9.4 mt -51.06 -47.16 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 84.46 31.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 186' ' ' GLN . . . . . 0.56 ' OE1' HG11 ' A' ' 189' ' ' VAL . 1.4 tt0 -155.09 -87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 1.036 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER 32.42 -105.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.707 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 174' ' ' ASN . 2.7 m -33.05 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 189' ' ' VAL . . . . . 0.56 HG11 ' OE1' ' A' ' 186' ' ' GLN . 1.2 t -39.53 -29.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 190' ' ' THR . . . . . 1.036 HG23 ' O ' ' A' ' 187' ' ' HIS . 35.1 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.568 ' HA ' ' CE1' ' A' ' 177' ' ' HIS . 1.8 m120 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 1.3 t30 77.59 -56.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -71.27 -81.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.75 -37.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -61.61 -20.04 62.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 182' ' ' ILE . 44.0 t30 -47.25 -53.13 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -47.61 -35.92 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 177' ' ' HIS . 13.5 t -83.63 -29.83 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 56.3 t30 -57.77 -54.21 49.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -40.02 -30.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 181' ' ' ASN . 8.3 m -88.54 -44.08 10.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 181' ' ' ASN . 52.4 mt -63.22 -45.0 99.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.45 27.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 8.7 mt-30 -155.02 -44.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 181' ' ' ASN . 0.2 OUTLIER -39.95 154.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.67 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.482 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 78.41 -52.92 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.482 ' N ' HG22 ' A' ' 188' ' ' THR . 43.0 t -67.23 -59.71 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 191' ' ' THR . 13.7 t -51.43 -51.54 54.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.75 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.656 ' O ' HG22 ' A' ' 193' ' ' THR . 2.6 p -74.01 -48.85 27.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 192' ' ' THR . 13.3 t 47.76 -157.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 163.15 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 110.962 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 177' ' ' HIS . 2.4 m-80 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 24.5 t-20 75.55 -56.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.6 m-85 -73.24 -85.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.56 -47.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 19.2 m80 -51.77 -21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.92 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.2 t30 -45.05 -50.44 10.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.492 ' HA ' HD13 ' A' ' 182' ' ' ILE . 37.2 t -45.86 -37.96 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 55.8 t -84.54 -30.01 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 37.4 t30 -59.03 -43.49 91.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.1 mp -39.67 -47.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -67.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 82.1 mt -42.72 -36.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 88.33 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 78.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 190' ' ' THR . 3.2 t60 -83.94 -98.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.534 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.6 OUTLIER -38.11 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 187' ' ' HIS . 56.0 t -40.95 -29.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' THR . . . . . 1.046 HG23 ' O ' ' A' ' 187' ' ' HIS . 69.8 p -38.6 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 192' ' ' THR . 8.4 p -142.16 -76.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.526 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 84.06 -12.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.707 HG23 ' N ' ' A' ' 194' ' ' LYS . 6.1 t -77.49 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.707 ' N ' HG23 ' A' ' 193' ' ' THR . 0.0 OUTLIER 73.19 113.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.687 ' ND2' HG23 ' A' ' 188' ' ' THR . 30.7 t-20 70.98 -58.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.4 m-85 -71.93 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.73 -47.62 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 173' ' ' ASN . 15.3 m80 -52.64 -21.13 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.5 t30 -45.17 -52.25 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.5 t -46.13 -37.1 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.247 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 184' ' ' ILE . 21.7 t -85.45 -30.36 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 178' ' ' ASN . 57.7 t-20 -59.84 -35.35 74.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mt -48.24 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -53.7 -68.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 180' ' ' VAL . 1.6 mp -41.07 -48.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.8 OUTLIER 85.43 21.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 1.6 mt-30 -145.34 -98.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.606 ' HA ' HG22 ' A' ' 190' ' ' THR . 1.8 m170 53.15 -95.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.687 HG23 ' ND2' ' A' ' 174' ' ' ASN . 3.2 m -36.73 -32.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.735 HG22 ' HA3' ' A' ' 195' ' ' GLY . 60.0 t -87.64 -48.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.606 HG22 ' HA ' ' A' ' 187' ' ' HIS . 1.2 t -56.86 -35.24 68.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.5 m -38.87 -55.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.586 HG22 HG22 ' A' ' 193' ' ' THR . 4.1 m -145.26 -75.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.586 HG22 HG22 ' A' ' 192' ' ' THR . 9.7 t -172.83 -39.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 193' ' ' THR . 11.4 mttt -39.37 -55.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.735 ' HA3' HG22 ' A' ' 189' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 6.1 m-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CG ' HG21 ' A' ' 188' ' ' THR . 55.9 t30 76.67 -57.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.35 -40.87 57.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -60.61 -20.06 59.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.602 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 1.016 ' O ' HD12 ' A' ' 182' ' ' ILE . 53.2 t30 -46.99 -51.6 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -42.88 -29.15 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 108.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.795 ' CG1' HD12 ' A' ' 184' ' ' ILE . 6.3 t -100.28 -33.25 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 185' ' ' LYS . 1.1 t30 -60.72 -18.59 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 1.016 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mp -71.48 -55.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -64.96 -50.0 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.795 HD12 ' CG1' ' A' ' 180' ' ' VAL . 57.1 mt -68.96 -38.9 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.88 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.565 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -133.44 84.16 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 187' ' ' HIS . 9.7 t-160 -97.83 -81.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 174' ' ' ASN . 0.4 OUTLIER -40.73 -37.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.4 -60.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.34 -44.08 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 61.7 m -38.97 -57.1 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 16.3 m -154.03 -75.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 6.3 t -172.91 -176.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 166.29 -64.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.773 ' ND2' HG23 ' A' ' 188' ' ' THR . 5.8 t30 72.7 -57.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 3.2 m-85 -73.95 -81.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.88 -51.27 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 173' ' ' ASN . 14.6 m80 -49.4 -22.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.531 ' O ' HD12 ' A' ' 182' ' ' ILE . 45.6 t30 -43.82 -53.41 6.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.391 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -43.14 -38.56 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 177' ' ' HIS . 69.0 t -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.0 t30 -56.9 -40.61 76.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.531 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.9 mt -40.2 -69.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.79 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 185' ' ' LYS . 14.4 mt -90.61 -77.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.526 ' N ' HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.7 56.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -147.31 -52.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.4 OUTLIER -53.82 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.689 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.773 HG23 ' ND2' ' A' ' 174' ' ' ASN . 1.8 m -35.57 -34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.2 t -46.54 -47.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 191' ' ' THR . 4.7 t -67.37 -51.2 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.738 HG22 ' N ' ' A' ' 192' ' ' THR . 0.9 OUTLIER 166.08 -81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.738 ' N ' HG22 ' A' ' 191' ' ' THR . 1.4 m -166.99 -48.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 1.0 OUTLIER -78.57 163.83 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 193' ' ' THR . 7.2 tttp 86.92 159.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.422 1.077 . . . . 0.0 110.942 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.496 ' OD1' ' CD2' ' A' ' 177' ' ' HIS . 1.4 m-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 18.4 t-20 77.38 -55.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -75.73 -85.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.46 -47.19 93.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.496 ' CD2' ' OD1' ' A' ' 173' ' ' ASN . 17.7 m80 -52.63 -20.93 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.618 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 182' ' ' ILE . 50.0 t30 -48.11 -32.93 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 182' ' ' ILE . 11.4 t -55.84 -38.05 69.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 177' ' ' HIS . 72.2 t -96.51 -28.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -66.97 -41.58 86.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 178' ' ' ASN . 6.8 mt -40.48 -69.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 182' ' ' ILE . 0.9 OUTLIER -38.16 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 27.3 mt -87.71 -76.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.66 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -134.93 -63.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.1 OUTLIER -53.53 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.536 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 192' ' ' THR . 15.8 m -37.1 -32.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 187' ' ' HIS . 33.5 t -68.61 -58.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t -54.51 -34.89 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 192' ' ' THR . 2.3 p -94.93 -87.04 0.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.97 -12.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 194' ' ' LYS . 97.2 m 51.69 174.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.515 ' N ' HG22 ' A' ' 193' ' ' THR . 0.0 OUTLIER 87.81 112.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.062 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 174' ' ' ASN . 28.3 p-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.862 ' HB2' HG23 ' A' ' 188' ' ' THR . 23.3 p30 -38.36 -31.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.1 t80 -70.12 -63.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.89 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 181' ' ' ASN . 1.2 m80 -57.57 -18.27 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.55 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.4 t-20 -48.37 -51.38 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -46.56 -26.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 108.236 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.571 HG12 HD12 ' A' ' 184' ' ' ILE . 19.3 t -99.04 -29.74 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 177' ' ' HIS . 12.3 t-20 -58.12 -25.15 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 0.8 OUTLIER -75.02 -10.28 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 41.7 m -114.76 -18.16 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.617 HG22 ' HB2' ' A' ' 186' ' ' GLN . 48.4 mt -104.58 -40.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.8 mmtp 51.64 57.54 6.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.617 ' HB2' HG22 ' A' ' 184' ' ' ILE . 1.6 mt-30 -150.76 -50.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 0.4 OUTLIER -56.96 -103.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 174' ' ' ASN . 1.6 m -35.17 -45.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 50.4 t -41.84 -51.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.1 t -49.17 -40.52 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.62 -51.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 193' ' ' THR . 1.2 m -168.89 -57.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 192' ' ' THR . 13.8 t 44.63 -160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 163.2 105.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.7 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' A' ' 177' ' ' HIS . 7.9 t30 -40.14 -52.95 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -49.02 -53.3 20.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.71 -16.85 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.04 -7.72 48.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.558 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -73.02 -17.65 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.2 t -131.69 7.05 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.337 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.67 -47.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 13.4 t30 -53.47 -20.61 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.3 mp -70.75 -15.11 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -113.88 -21.7 10.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.716 HD12 ' CG1' ' A' ' 180' ' ' VAL . 87.0 mt -94.66 -36.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER 87.54 -46.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -136.05 86.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.3 OUTLIER -86.58 -95.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.56 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -36.17 -37.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.424 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.23 -56.55 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.4 t -48.38 -48.79 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.47 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.59 -51.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER 168.6 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 2.1 t -49.63 -51.04 40.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 193' ' ' THR . 4.3 tttt 64.14 -78.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 17.6 m-80 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 14.1 t-20 81.51 -52.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.9 OUTLIER -78.67 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.93 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.56 -55.43 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.495 ' CB ' ' CD2' ' A' ' 187' ' ' HIS . 8.3 m80 -52.04 -21.55 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 1.012 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.8 t-20 -44.89 -51.73 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.414 ' HA ' HD13 ' A' ' 182' ' ' ILE . 35.0 t -44.51 -38.16 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 54.9 t -87.07 -29.8 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.594 1.184 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.8 t-20 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 1.012 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.2 mp -39.24 -43.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 4.8 m -79.19 -51.88 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 48.2 mt -50.21 -36.52 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tpmp? 89.07 -44.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.233 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.1 pp0? -140.41 89.03 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.03 ' O ' HG23 ' A' ' 190' ' ' THR . 2.0 t60 -85.98 -101.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -37.77 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.6 -26.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 187' ' ' HIS . 47.6 p -37.23 -41.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.6 p -106.43 -76.1 0.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.2 m -168.36 -55.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 194' ' ' LYS . 10.2 t -162.24 -50.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 193' ' ' THR . 0.1 OUTLIER 41.27 74.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.349 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' A' ' 188' ' ' THR . 2.2 p-10 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -75.32 -61.77 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.76 -56.21 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 173' ' ' ASN . 18.7 m-70 -51.95 -21.04 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.9 t-20 -45.83 -52.0 11.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 44.1 t -44.19 -33.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.211 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 184' ' ' ILE . 2.4 t -93.06 -31.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.7 t30 -55.2 -34.31 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.0 OUTLIER -69.89 -11.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.1 m -111.21 -26.09 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 187' ' ' HIS . 10.4 mt -90.56 -40.22 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 81.57 20.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.452 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.8 mt-30 -146.13 -98.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.561 ' CD2' HD12 ' A' ' 184' ' ' ILE . 1.3 m-70 46.99 -94.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 174' ' ' ASN . 83.7 m -37.83 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.5 t -88.73 -47.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.403 1.065 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -53.9 -34.86 60.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.3 m -62.99 -54.44 38.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 193' ' ' THR . 1.5 m -150.6 -81.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 192' ' ' THR . 0.5 OUTLIER 82.94 -48.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.417 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.9 OUTLIER -39.43 125.66 1.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 175' ' ' PHE . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.607 ' HB3' HG21 ' A' ' 188' ' ' THR . 3.3 p-10 -38.51 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 173' ' ' ASN . 3.5 m-85 -70.68 -58.68 3.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.9 -47.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.5 m170 -61.78 -17.26 55.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 181' ' ' ASN . 41.9 t30 -49.73 -51.49 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.5 t -43.57 -28.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 178' ' ' ASN . 3.3 t -99.45 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.2 t30 -55.59 -25.27 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -74.86 -9.83 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -114.3 -26.27 8.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 85.4 mt -97.45 -36.07 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER 92.14 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.41 84.27 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.678 ' O ' HG22 ' A' ' 190' ' ' THR . 0.8 OUTLIER -90.68 -79.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.654 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -57.39 -33.83 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.33 -31.21 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.3 t -64.96 -35.07 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 96.9 m -57.17 -60.93 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 8.9 m -116.42 -86.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.666 HG23 ' N ' ' A' ' 194' ' ' LYS . 2.5 t -173.86 -159.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.666 ' N ' HG23 ' A' ' 193' ' ' THR . 0.2 OUTLIER 87.22 68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 177' ' ' HIS . 15.3 p-10 -53.03 -42.81 66.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.64 -51.78 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 29.0 t -60.81 -18.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.18 -7.55 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.5 t-20 -72.24 -17.86 61.87 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.01 7.59 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.945 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.63 -46.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 3.6 t30 -54.57 -20.14 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 4.9 mp -78.45 -19.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.6 m -107.67 -21.58 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.945 HD12 ' CG1' ' A' ' 180' ' ' VAL . 89.7 mt -101.73 -40.14 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 88.92 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 186' ' ' GLN . 1.3 pp0? -134.2 85.87 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.488 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -82.36 -101.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.565 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 187' ' ' HIS . 2.4 m -37.46 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.25 -51.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.6 t -47.0 -40.81 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.2 m -72.66 -79.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.9 m -160.2 -79.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.474 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.2 t -162.14 -49.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 193' ' ' THR . 7.6 mttm 54.1 -97.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.4 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -40.31 -63.47 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.05 -52.77 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 180' ' ' VAL . 3.5 t -62.45 -19.24 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.28 -9.46 41.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.444 ' O ' HD13 ' A' ' 182' ' ' ILE . 5.9 t30 -73.78 -11.03 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.4 t -130.43 6.13 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 176' ' ' VAL . 14.6 t -125.84 -47.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.547 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.8 t30 -56.71 -18.16 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -74.09 -13.12 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.6 m -114.76 -17.77 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.556 HD12 HG12 ' A' ' 180' ' ' VAL . 74.6 mt -102.65 -38.87 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.2 tpmp? 88.55 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.212 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.417 ' H ' HG22 ' A' ' 184' ' ' ILE . 3.2 mp0 -129.76 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.019 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -92.78 -102.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.602 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -38.17 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.26 -26.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 187' ' ' HIS . 49.7 p -37.57 -58.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.504 ' O ' ' CB ' ' A' ' 192' ' ' THR . 2.4 p -100.85 -59.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.98 -12.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 194' ' ' LYS . 1.3 m -63.77 -68.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER -39.36 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.62 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.6 p-10 -40.5 -58.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -47.99 -54.63 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.84 -17.89 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.88 -7.81 43.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.516 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -73.46 -17.17 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 7.06 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.546 ' CG1' HD13 ' A' ' 184' ' ' ILE . 2.4 t -122.11 -48.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.7 t30 -53.1 -20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.2 mp -70.07 -8.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -114.47 -29.55 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.382 1.051 . . . . 0.0 110.412 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.546 HD13 ' CG1' ' A' ' 180' ' ' VAL . 3.4 mp -90.31 -37.49 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.78 -40.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.537 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -138.43 87.61 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.4 OUTLIER -89.3 -92.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 174' ' ' ASN . 2.9 m -36.43 -36.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -55.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.5 t -64.99 -42.3 94.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.463 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.5 -51.19 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.3 m -167.01 -57.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.7 m -47.14 166.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.0 OUTLIER 72.19 102.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.622 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 59.0 t-20 -40.44 -56.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -47.17 -53.93 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.72 -19.59 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.4 -8.06 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.514 ' O ' HD11 ' A' ' 182' ' ' ILE . 8.7 t-20 -72.03 -17.04 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 3.4 t -134.65 7.96 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.84 -45.07 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.1 t30 -54.95 -19.31 6.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -78.59 -20.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.3 m -103.09 -20.03 14.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.69 HG22 ' H ' ' A' ' 186' ' ' GLN . 63.9 mt -102.97 -44.67 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tptp 91.05 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 184' ' ' ILE . 8.2 mp0 -135.24 84.8 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.017 ' O ' HG23 ' A' ' 190' ' ' THR . 0.3 OUTLIER -97.56 -101.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.9 OUTLIER -38.35 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.7 t -40.45 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' THR . . . . . 1.017 HG23 ' O ' ' A' ' 187' ' ' HIS . 81.4 p -38.33 -54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 27.9 m -39.7 -58.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 17.9 m -62.7 -59.6 4.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.375 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 2.1 m -50.1 164.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.402 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.1 OUTLIER 79.66 129.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 194' ' ' LYS . 1.4 m-80 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.822 ' CG ' HG21 ' A' ' 188' ' ' THR . 35.5 t30 75.52 -56.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.8 m-85 -73.29 -84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.02 -48.88 87.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.451 ' O ' ' N ' ' A' ' 180' ' ' VAL . 19.6 m80 -50.7 -22.35 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.647 ' O ' HD12 ' A' ' 182' ' ' ILE . 40.6 t30 -44.7 -52.38 8.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.3 t -44.0 -38.33 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.331 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 86.0 t -79.67 -37.42 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 53.9 t-20 -50.13 -48.24 53.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.6 mp -40.36 -29.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.6 m -93.89 -39.28 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 37.3 mm -63.46 -35.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.58 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.393 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.73 83.06 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.025 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -90.07 -110.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.615 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.822 HG21 ' CG ' ' A' ' 174' ' ' ASN . 2.2 m -38.13 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.8 t -36.29 -50.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' THR . . . . . 1.025 HG22 ' O ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -44.86 -82.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.433 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.733 ' H ' HG23 ' A' ' 190' ' ' THR . 54.4 m -157.08 -78.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 193' ' ' THR . 2.7 m -163.75 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 194' ' ' LYS . 17.5 m 36.57 -102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 193' ' ' THR . 3.0 mttt -39.05 106.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.493 ' OD1' ' CD2' ' A' ' 177' ' ' HIS . 1.3 m-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.491 ' N ' ' NE2' ' A' ' 187' ' ' HIS . 2.4 t30 77.75 -55.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.6 m-85 -75.01 -85.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.98 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.493 ' CD2' ' OD1' ' A' ' 173' ' ' ASN . 17.3 m80 -56.27 -18.34 10.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.3 t30 -47.44 -52.54 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 40.4 t -49.19 -30.99 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 70.7 t -88.86 -27.85 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 184' ' ' ILE . 11.0 t-20 -62.22 -50.06 73.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 1.009 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -38.83 -32.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.4 m -80.86 -47.46 13.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 186' ' ' GLN . 13.5 mt -67.71 -52.39 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.204 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.1 mmtp 65.96 47.33 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 184' ' ' ILE . 8.2 mt-30 -146.97 -51.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.491 ' NE2' ' N ' ' A' ' 174' ' ' ASN . 1.6 t60 -55.0 -104.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 187' ' ' HIS . 17.6 m -33.56 -37.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 110.393 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.7 t -48.43 -55.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.632 HG23 HG23 ' A' ' 191' ' ' THR . 5.3 t -44.31 -42.76 6.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.632 HG23 HG23 ' A' ' 190' ' ' THR . 3.5 p -96.95 -88.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.445 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.91 -11.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 2.6 t -86.63 -179.17 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 194' ' ' LYS . 0.0 OUTLIER -178.96 140.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.417 1.073 . . . . 0.0 110.988 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.548 ' O ' ' CG ' ' A' ' 177' ' ' HIS . 18.8 t-20 -123.13 -44.89 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -48.15 -53.29 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.24 -17.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.06 -7.5 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.28 -18.23 61.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.73 7.43 4.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.936 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.36 -46.29 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.527 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 3.9 t30 -54.44 -20.07 6.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 182' ' ' ILE . 4.2 mp -77.87 -21.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 23.5 m -106.47 -21.14 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.936 HD12 ' CG1' ' A' ' 180' ' ' VAL . 95.4 mt -101.29 -41.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.0 OUTLIER 89.1 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.473 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -135.21 86.82 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -85.89 -97.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.61 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 187' ' ' HIS . 10.0 m -36.85 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -43.45 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 187' ' ' HIS . 6.2 p -38.21 -52.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 21.2 m -44.19 -58.62 2.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 16.2 m -61.76 -57.52 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 1.1 m -48.15 149.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -177.91 163.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.425 1.078 . . . . 0.0 110.942 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' ASN . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.621 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 6.9 p30 -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 174' ' ' ASN . 3.0 m-85 -49.09 -52.11 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.92 -16.96 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.16 -6.13 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.653 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.91 -20.21 60.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.3 6.1 5.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.604 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -119.61 -49.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.539 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -55.97 -18.92 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.751 ' N ' HD13 ' A' ' 182' ' ' ILE . 1.5 mm -77.78 -11.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.5 ' C ' HD12 ' A' ' 184' ' ' ILE . 6.4 m -115.06 -22.76 9.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -103.64 -37.89 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 67.61 27.86 7.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.554 ' HB2' HG22 ' A' ' 184' ' ' ILE . 2.5 mt-30 -148.27 -88.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 41.58 -106.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -33.46 -39.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' THR . 11.9 t -48.78 -55.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 187' ' ' HIS . 5.3 t -38.14 -42.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 26.3 m -40.52 -66.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 193' ' ' THR . 17.2 p -101.3 -54.79 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 192' ' ' THR . 13.3 t 46.18 -160.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 193' ' ' THR . 1.3 mttp 166.35 -67.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.083 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.613 ' HB2' HG23 ' A' ' 188' ' ' THR . 0.5 OUTLIER -39.08 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -77.16 -64.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.58 -57.81 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 173' ' ' ASN . 8.5 m80 -49.28 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 63.9 t30 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 43.0 t -44.95 -37.96 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 177' ' ' HIS . 83.2 t -85.17 -30.9 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 48.2 t30 -65.57 -20.34 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.552 ' N ' HD13 ' A' ' 182' ' ' ILE . 3.0 mm -67.27 -9.85 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 15.6 m -109.96 -22.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 16.7 mt -94.83 -45.44 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.5 tptp 73.46 40.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 187' ' ' HIS . 56.3 mt-30 -152.73 -107.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 t60 37.75 -101.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 174' ' ' ASN . 88.2 m -35.48 -45.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -42.56 -51.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.9 t -47.51 -40.54 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 188' ' ' THR . 68.6 m -68.62 -48.58 63.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.2 m -59.33 -55.88 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.472 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 1.9 m -141.34 167.21 22.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.3 OUTLIER 85.35 97.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.535 ' HA ' ' CE1' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -121.24 -38.64 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -80.6 -61.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.34 -44.6 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.535 ' CE1' ' HA ' ' A' ' 173' ' ' ASN . 0.2 OUTLIER -70.4 -7.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.072 . . . . 0.0 109.605 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.538 ' O ' HD12 ' A' ' 182' ' ' ILE . 65.9 t30 -60.88 -48.15 83.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.0 t -45.17 -39.02 5.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 108.326 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 56.7 t -84.09 -29.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 178' ' ' ASN . 44.6 t-20 -58.67 -44.07 90.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.8 mp -38.39 -31.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.3 m -83.49 -50.89 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 186' ' ' GLN . 45.1 mt -60.27 -39.17 79.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 91.52 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.589 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -138.4 86.78 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 t60 -91.83 -99.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.7 OUTLIER -36.83 -51.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 188' ' ' THR . 26.9 t -41.32 -48.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.8 t -44.19 -40.94 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.518 HG22 ' HB ' ' A' ' 193' ' ' THR . 9.0 m -47.57 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.9 -12.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.518 ' HB ' HG22 ' A' ' 191' ' ' THR . 1.2 m -52.45 141.46 19.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.072 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.477 ' HZ3' ' N ' ' A' ' 195' ' ' GLY . 0.1 OUTLIER 174.56 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 195' ' ' GLY . . . . . 0.477 ' N ' ' HZ3' ' A' ' 194' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 175' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.901 ' ND2' HG23 ' A' ' 188' ' ' THR . 1.3 t-20 66.51 -60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 173' ' ' ASN . 2.4 m-85 -73.24 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.1 -30.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 181' ' ' ASN . 14.6 m80 -75.66 -2.06 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.599 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.667 ' O ' HD12 ' A' ' 182' ' ' ILE . 14.1 t-20 -67.0 -39.98 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.567 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.7 t -55.37 -21.69 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.0 -21.27 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 177' ' ' HIS . 4.1 t30 -78.7 -44.1 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 178' ' ' ASN . 5.9 mt -37.84 -56.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.09 -46.11 16.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.465 ' CG2' ' CG ' ' A' ' 186' ' ' GLN . 19.5 mt -77.92 -63.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.45 ' CE ' HG22 ' A' ' 189' ' ' VAL . 0.0 OUTLIER 73.15 54.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.55 ' NE2' ' C ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -132.35 -42.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.464 ' N ' ' CD ' ' A' ' 186' ' ' GLN . 0.1 OUTLIER -82.16 -85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.628 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.901 HG23 ' ND2' ' A' ' 174' ' ' ASN . 79.3 m -36.83 -32.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 55.9 t -60.46 -58.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.3 t -58.0 -47.68 82.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.469 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 190' ' ' THR . 0.9 OUTLIER 168.44 -65.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 191' ' ' THR . 1.1 m -163.45 -68.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.477 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 4.6 t -164.28 -45.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 110.425 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.05 -165.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.999 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.409 ' N ' ' HB ' ' A' ' 176' ' ' VAL . 2.6 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 p-10 -51.46 -47.08 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.31 -46.87 88.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.409 ' HB ' ' N ' ' A' ' 173' ' ' ASN . 18.3 t -53.5 -20.64 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -66.54 -12.33 57.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.635 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -68.99 -17.03 63.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.21 8.38 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 1.059 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.4 t -123.12 -43.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.523 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 31.3 t30 -55.12 -19.27 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.387 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -76.84 -16.98 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 59.2 m -114.26 -17.24 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 1.059 HD12 ' CG1' ' A' ' 180' ' ' VAL . 55.4 mt -106.04 -39.74 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.33 39.63 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.6 mt-30 -155.44 -44.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 188' ' ' THR . 2.0 m170 -37.96 155.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.665 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.64 -52.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 188' ' ' THR . 39.3 t -69.5 -55.41 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.68 HG23 ' H ' ' A' ' 191' ' ' THR . 0.1 OUTLIER -43.06 -63.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.68 ' H ' HG23 ' A' ' 190' ' ' THR . 2.5 p -39.66 -59.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 12.7 m -160.45 -69.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 194' ' ' LYS . 14.7 t -174.16 -51.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 193' ' ' THR . 0.2 OUTLIER 40.83 81.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.916 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.625 ' HA ' ' CE1' ' A' ' 177' ' ' HIS . 7.8 t-20 85.25 -44.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.28 -83.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.3 t -54.85 -21.23 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.656 ' CE1' ' HB3' ' A' ' 187' ' ' HIS . 0.0 OUTLIER -74.42 -3.6 31.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 181' ' ' ASN . 9.3 t30 -65.91 -48.11 72.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.82 -28.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.826 HG12 HD11 ' A' ' 184' ' ' ILE . 21.5 t -92.46 -37.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 12.9 t30 -48.93 -44.4 40.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -46.83 -24.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 181' ' ' ASN . 94.6 m -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 180' ' ' VAL . 3.1 mp -75.25 -48.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER 80.23 19.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.346 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -148.06 -45.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.656 ' HB3' ' CE1' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -39.12 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.597 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 75.23 -53.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 188' ' ' THR . 72.0 t -73.22 -54.0 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 191' ' ' THR . 1.8 t -38.02 -50.76 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 193' ' ' THR . 98.4 m -38.9 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.526 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.93 -11.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.413 1.07 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.631 ' H ' HG22 ' A' ' 191' ' ' THR . 3.0 m -39.26 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -39.43 114.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.515 ' HB3' ' CG ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.403 ' HA ' ' OG1' ' A' ' 188' ' ' THR . 8.7 t30 164.92 -61.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.1 t80 -66.69 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.41 -48.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.623 ' HB3' ' CE1' ' A' ' 187' ' ' HIS . 16.9 m-70 -60.14 -16.18 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 1.063 ' O ' HD12 ' A' ' 182' ' ' ILE . 58.5 t30 -49.66 -50.32 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 31.6 t -44.73 -27.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 184' ' ' ILE . 4.8 t -100.76 -29.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 27.7 t-20 -64.88 -17.94 64.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 1.063 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.4 mp -63.35 -48.81 85.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -49.37 24.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 1.3 mp -61.86 -42.99 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.67 -42.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.482 ' N ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -124.86 81.91 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.623 ' CE1' ' HB3' ' A' ' 177' ' ' HIS . 7.9 t60 -89.86 -80.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.634 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 174' ' ' ASN . 53.2 m -40.59 -34.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -48.32 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.0 OUTLIER -51.45 -43.13 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.62 -51.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 3.7 m -161.21 -58.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 194' ' ' LYS . 1.2 m -152.12 -65.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER -39.37 124.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 179.899 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.613 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.8 p30 -39.46 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.87 -50.38 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.22 -18.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.78 -8.7 50.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.535 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.536 ' O ' HD11 ' A' ' 182' ' ' ILE . 6.3 t30 -71.35 -16.61 62.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.6 t -134.73 7.79 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 108.387 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.669 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -122.28 -45.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.537 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -54.96 -18.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.536 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -77.69 -21.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.1 m -106.2 -17.56 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.462 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.669 HD12 ' CG1' ' A' ' 180' ' ' VAL . 72.6 mt -105.21 -43.86 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 71.28 28.85 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 3.2 tt0 -155.28 -82.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER 38.8 -102.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 1.2 m -35.54 -57.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.362 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 54.1 t -39.61 -48.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.6 t -38.43 -38.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.616 HG22 ' H ' ' A' ' 193' ' ' THR . 93.7 m -61.84 -76.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.0 m 83.88 -12.02 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.471 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.616 ' H ' HG22 ' A' ' 191' ' ' THR . 1.4 m -86.39 154.87 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.72 156.47 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.492 ' N ' HD21 ' A' ' 173' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.584 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 2.2 t30 -51.37 -65.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.38 -47.52 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.65 -21.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.394 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.678 ' CE1' HG21 ' A' ' 188' ' ' THR . 0.0 OUTLIER -65.13 -13.04 57.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.642 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -69.12 -16.84 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.85 8.2 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -123.23 -43.59 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 33.8 t30 -54.84 -19.07 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -75.68 -14.66 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.406 ' C ' HD12 ' A' ' 184' ' ' ILE . 65.6 m -114.71 -25.23 8.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.809 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -99.9 -38.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.62 39.41 30.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 34.3 mt-30 -155.33 -43.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.426 ' CD2' HG11 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.26 154.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.563 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.678 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.85 -53.12 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.494 ' N ' HG22 ' A' ' 188' ' ' THR . 38.0 t -69.72 -13.94 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.2 p -45.75 -31.61 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.5 p -139.95 -73.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -175.87 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.2 t -168.94 -49.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.449 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.1 OUTLIER 51.08 -164.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.957 179.961 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.1 m120 -62.34 -57.36 11.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.47 -46.61 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.32 -19.93 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.63 -11.22 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.88 -16.37 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.93 8.36 3.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.239 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.474 HG13 HD13 ' A' ' 184' ' ' ILE . 2.3 t -123.55 -44.58 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 56.0 t30 -54.36 -18.99 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.175 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.3 mp -73.2 -17.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.55 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.0 m -115.4 -20.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 183' ' ' THR . 1.4 mp -100.13 -38.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 50.18 43.66 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.2 mt-30 -155.32 -44.26 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 188' ' ' THR . 2.2 m80 -38.75 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 76.31 -52.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.468 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.579 ' O ' HG22 ' A' ' 193' ' ' THR . 75.7 t -67.68 -33.62 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.2 t -71.27 -43.65 66.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 52.0 m -45.85 -40.3 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 36.4 p -77.41 -73.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 189' ' ' VAL . 14.9 t -65.68 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 163.18 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.063 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m120 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -38.99 -35.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.52 -63.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.58 -20.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 173' ' ' ASN . 14.4 m170 -79.17 1.86 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.36 -63.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.25 -26.18 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER -89.53 -32.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 17.7 t30 -52.64 -38.63 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -62.4 -14.44 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.7 m -103.54 -38.5 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.8 OUTLIER -76.59 -42.49 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER 82.15 20.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.456 ' HG2' ' CG2' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -155.1 -43.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 177' ' ' HIS . 0.0 OUTLIER -39.03 152.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.606 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 79.2 -52.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.489 ' N ' HG22 ' A' ' 188' ' ' THR . 94.0 t -64.04 -26.96 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.5 p -39.61 -45.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 90.6 m -66.62 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 2.9 m -158.28 -66.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 194' ' ' LYS . 1.1 t -175.69 160.12 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 193' ' ' THR . 0.3 OUTLIER 174.75 67.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.96 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.0 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 188' ' ' THR . 17.3 t-20 73.39 -57.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.7 m-85 -72.11 -85.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.21 -46.05 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.2 m-70 -53.78 -20.24 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.924 ' O ' HD12 ' A' ' 182' ' ' ILE . 41.5 t30 -46.8 -46.58 20.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 179' ' ' CYS . . . . . 0.483 ' HA ' HD13 ' A' ' 182' ' ' ILE . 41.6 t -46.84 -34.69 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.292 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 177' ' ' HIS . 93.4 t -86.29 -30.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 24.6 t30 -59.12 -45.58 90.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.924 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.4 mp -39.14 -45.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 7.7 m -60.05 -67.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.357 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 9.4 mt -51.06 -47.16 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 84.46 31.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.56 ' OE1' HG11 ' A' ' 189' ' ' VAL . 1.4 tt0 -155.09 -87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 1.036 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER 32.42 -105.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.707 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 174' ' ' ASN . 2.7 m -33.05 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 189' ' ' VAL . . . . . 0.56 HG11 ' OE1' ' A' ' 186' ' ' GLN . 1.2 t -39.53 -29.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 190' ' ' THR . . . . . 1.036 HG23 ' O ' ' A' ' 187' ' ' HIS . 35.1 p -34.65 -64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.3 p -132.07 -90.89 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.4 m -163.6 -61.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 193' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.3 m -139.97 165.74 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 194' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 193' ' ' THR . 1.3 mttm 69.96 170.89 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.362 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.56 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m-80 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 1.3 t30 77.59 -56.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -71.27 -81.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.75 -37.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 20.5 m170 -61.61 -20.04 62.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 182' ' ' ILE . 44.0 t30 -47.25 -53.13 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -47.61 -35.92 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 177' ' ' HIS . 13.5 t -83.63 -29.83 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 56.3 t30 -57.77 -54.21 49.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -40.02 -30.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 181' ' ' ASN . 8.3 m -88.54 -44.08 10.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 181' ' ' ASN . 52.4 mt -63.22 -45.0 99.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.45 27.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 8.7 mt-30 -155.02 -44.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -39.95 154.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.67 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.482 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 78.41 -52.92 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.482 ' N ' HG22 ' A' ' 188' ' ' THR . 43.0 t -67.23 -59.71 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.565 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.4 m-80 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 24.5 t-20 75.55 -56.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.6 m-85 -73.24 -85.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.56 -47.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 7.7 m-70 -51.77 -21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.92 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.2 t30 -45.05 -50.44 10.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.492 ' HA ' HD13 ' A' ' 182' ' ' ILE . 37.2 t -45.86 -37.96 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 55.8 t -84.54 -30.01 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 37.4 t30 -59.03 -43.49 91.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.1 mp -39.67 -47.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -67.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 82.1 mt -42.72 -36.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 88.33 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.0 pm0 -129.38 78.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 190' ' ' THR . 3.2 t60 -83.94 -98.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.534 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.6 OUTLIER -38.11 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 187' ' ' HIS . 56.0 t -40.95 -29.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 1.046 HG23 ' O ' ' A' ' 187' ' ' HIS . 69.8 p . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.556 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.687 ' ND2' HG23 ' A' ' 188' ' ' THR . 30.7 t-20 70.98 -58.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.4 m-85 -71.93 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.73 -47.62 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 7.2 m-70 -52.64 -21.13 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.5 t30 -45.17 -52.25 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.5 t -46.13 -37.1 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.247 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 184' ' ' ILE . 21.7 t -85.45 -30.36 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 178' ' ' ASN . 57.7 t-20 -59.84 -35.35 74.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mt -48.24 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -53.7 -68.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 180' ' ' VAL . 1.6 mp -41.07 -48.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.8 OUTLIER 85.43 21.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -145.34 -98.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.606 ' HA ' HG22 ' A' ' 190' ' ' THR . 0.1 OUTLIER 53.15 -95.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.687 HG23 ' ND2' ' A' ' 174' ' ' ASN . 3.2 m -36.73 -32.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 187' ' ' HIS . 60.0 t -87.64 -48.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.606 HG22 ' HA ' ' A' ' 187' ' ' HIS . 1.2 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 6.1 m-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CG ' HG21 ' A' ' 188' ' ' THR . 55.9 t30 76.67 -57.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.35 -40.87 57.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.9 m170 -60.61 -20.06 59.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 1.016 ' O ' HD12 ' A' ' 182' ' ' ILE . 53.2 t30 -46.99 -51.6 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -42.88 -29.15 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 108.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.795 ' CG1' HD12 ' A' ' 184' ' ' ILE . 6.3 t -100.28 -33.25 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 185' ' ' LYS . 1.1 t30 -60.72 -18.59 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 1.016 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mp -71.48 -55.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -64.96 -50.0 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.795 HD12 ' CG1' ' A' ' 180' ' ' VAL . 57.1 mt -68.96 -38.9 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.88 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.565 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.9 OUTLIER -133.44 84.16 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -97.83 -81.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 174' ' ' ASN . 0.4 OUTLIER -40.73 -37.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.4 -60.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.773 ' ND2' HG23 ' A' ' 188' ' ' THR . 5.8 t30 72.7 -57.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 3.2 m-85 -73.95 -81.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.88 -51.27 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 9.2 m-70 -49.4 -22.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.531 ' O ' HD12 ' A' ' 182' ' ' ILE . 45.6 t30 -43.82 -53.41 6.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.391 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -43.14 -38.56 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 177' ' ' HIS . 69.0 t -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.0 t30 -56.9 -40.61 76.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.531 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.9 mt -40.2 -69.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.79 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 185' ' ' LYS . 14.4 mt -90.61 -77.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.526 ' N ' HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.7 56.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -147.31 -52.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.4 OUTLIER -53.82 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.689 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.773 HG23 ' ND2' ' A' ' 174' ' ' ASN . 1.8 m -35.57 -34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.2 t -46.54 -47.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 4.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.8 m120 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 18.4 t-20 77.38 -55.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -75.73 -85.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.46 -47.19 93.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.654 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.1 m-70 -52.63 -20.93 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.618 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 182' ' ' ILE . 50.0 t30 -48.11 -32.93 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 182' ' ' ILE . 11.4 t -55.84 -38.05 69.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 177' ' ' HIS . 72.2 t -96.51 -28.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -66.97 -41.58 86.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 178' ' ' ASN . 6.8 mt -40.48 -69.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 182' ' ' ILE . 0.9 OUTLIER -38.16 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 27.3 mt -87.71 -76.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.66 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -134.93 -63.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.1 OUTLIER -53.53 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.536 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.442 HG23 ' OD1' ' A' ' 174' ' ' ASN . 15.8 m -37.1 -32.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 187' ' ' HIS . 33.5 t -68.61 -58.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 174' ' ' ASN . 28.3 p-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.862 ' HB2' HG23 ' A' ' 188' ' ' THR . 23.3 p30 -38.36 -31.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.1 t80 -70.12 -63.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.89 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 181' ' ' ASN . 10.0 m170 -57.57 -18.27 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.55 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.4 t-20 -48.37 -51.38 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -46.56 -26.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 108.236 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.571 HG12 HD12 ' A' ' 184' ' ' ILE . 19.3 t -99.04 -29.74 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 177' ' ' HIS . 12.3 t-20 -58.12 -25.15 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 0.8 OUTLIER -75.02 -10.28 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 41.7 m -114.76 -18.16 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.617 HG22 ' HB2' ' A' ' 186' ' ' GLN . 48.4 mt -104.58 -40.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.8 mmtp 51.64 57.54 6.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.617 ' HB2' HG22 ' A' ' 184' ' ' ILE . 1.6 mt-30 -150.76 -50.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 0.4 OUTLIER -56.96 -103.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 174' ' ' ASN . 1.6 m -35.17 -45.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 50.4 t -41.84 -51.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.7 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.615 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 7.9 t30 -40.14 -52.95 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -49.02 -53.3 20.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.71 -16.85 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.615 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.04 -7.72 48.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.558 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -73.02 -17.65 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.2 t -131.69 7.05 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.337 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.67 -47.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 13.4 t30 -53.47 -20.61 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 182' ' ' ILE . 1.3 mp -70.75 -15.11 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -113.88 -21.7 10.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.716 HD12 ' CG1' ' A' ' 180' ' ' VAL . 87.0 mt -94.66 -36.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER 87.54 -46.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -136.05 86.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.3 OUTLIER -86.58 -95.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.56 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -36.17 -37.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.424 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.23 -56.55 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 10.7 m120 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 14.1 t-20 81.51 -52.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.9 OUTLIER -78.67 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.93 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.56 -55.43 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 15.1 m-70 -52.04 -21.55 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 1.012 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.8 t-20 -44.89 -51.73 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.414 ' HA ' HD13 ' A' ' 182' ' ' ILE . 35.0 t -44.51 -38.16 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 54.9 t -87.07 -29.8 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.594 1.184 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.8 t-20 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 1.012 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.2 mp -39.24 -43.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 4.8 m -79.19 -51.88 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 48.2 mt -50.21 -36.52 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tpmp? 89.07 -44.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.233 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.1 pp0? -140.41 89.03 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 1.03 ' O ' HG23 ' A' ' 190' ' ' THR . 2.0 t60 -85.98 -101.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -37.77 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.6 -26.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 187' ' ' HIS . 47.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' A' ' 188' ' ' THR . 2.6 p30 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -75.32 -61.77 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.76 -56.21 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 173' ' ' ASN . 18.7 m-70 -51.95 -21.04 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.9 t-20 -45.83 -52.0 11.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 44.1 t -44.19 -33.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.211 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 184' ' ' ILE . 2.4 t -93.06 -31.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.7 t30 -55.2 -34.31 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.0 OUTLIER -69.89 -11.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.1 m -111.21 -26.09 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 187' ' ' HIS . 10.4 mt -90.56 -40.22 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 81.57 20.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.452 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.8 mt-30 -146.13 -98.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.561 ' CD2' HD12 ' A' ' 184' ' ' ILE . 1.3 m-70 46.99 -94.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 174' ' ' ASN . 83.7 m -37.83 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.5 t -88.73 -47.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.403 1.065 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 175' ' ' PHE . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.607 ' HB3' HG21 ' A' ' 188' ' ' THR . 3.3 p-10 -38.51 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 173' ' ' ASN . 3.5 m-85 -70.68 -58.68 3.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.9 -47.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.5 m170 -61.78 -17.26 55.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 181' ' ' ASN . 41.9 t30 -49.73 -51.49 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.5 t -43.57 -28.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 178' ' ' ASN . 3.3 t -99.45 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.2 t30 -55.59 -25.27 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -74.86 -9.83 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -114.3 -26.27 8.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 85.4 mt -97.45 -36.07 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER 92.14 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.4 pm0 -134.41 84.27 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.678 ' O ' HG22 ' A' ' 190' ' ' THR . 0.8 OUTLIER -90.68 -79.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.654 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -57.39 -33.83 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.33 -31.21 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.3 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 15.3 p-10 -53.03 -42.81 66.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.64 -51.78 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 29.0 t -60.81 -18.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.18 -7.55 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.5 t-20 -72.24 -17.86 61.87 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.01 7.59 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.945 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.63 -46.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 9.0 t-20 -54.57 -20.14 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 4.9 mp -78.45 -19.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.6 m -107.67 -21.58 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.945 HD12 ' CG1' ' A' ' 180' ' ' VAL . 89.7 mt -101.73 -40.14 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 88.92 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 186' ' ' GLN . 1.3 pp0? -134.2 85.87 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.504 ' H ' ' ND2' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -82.36 -101.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.565 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 187' ' ' HIS . 2.4 m -37.46 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.25 -51.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.4 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -40.31 -63.47 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.05 -52.77 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 180' ' ' VAL . 3.5 t -62.45 -19.24 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.28 -9.46 41.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.444 ' O ' HD13 ' A' ' 182' ' ' ILE . 5.9 t30 -73.78 -11.03 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.4 t -130.43 6.13 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 176' ' ' VAL . 14.6 t -125.84 -47.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.547 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.8 t30 -56.71 -18.16 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -74.09 -13.12 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.6 m -114.76 -17.77 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.556 HD12 HG12 ' A' ' 180' ' ' VAL . 74.6 mt -102.65 -38.87 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.2 tpmp? 88.55 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.212 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.417 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -129.76 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 1.019 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -92.78 -102.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.602 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -38.17 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.26 -26.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 187' ' ' HIS . 49.7 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.62 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.6 p-10 -40.5 -58.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -47.99 -54.63 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.84 -17.89 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.88 -7.81 43.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.516 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -73.46 -17.17 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 7.06 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.546 ' CG1' HD13 ' A' ' 184' ' ' ILE . 2.4 t -122.11 -48.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.7 t30 -53.1 -20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.2 mp -70.07 -8.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -114.47 -29.55 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.382 1.051 . . . . 0.0 110.412 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.546 HD13 ' CG1' ' A' ' 180' ' ' VAL . 3.4 mp -90.31 -37.49 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.78 -40.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.537 ' H ' HG22 ' A' ' 184' ' ' ILE . 2.0 pp0? -138.43 87.61 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.4 OUTLIER -89.3 -92.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 174' ' ' ASN . 2.9 m -36.43 -36.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -55.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.622 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 59.0 t-20 -40.44 -56.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -47.17 -53.93 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.72 -19.59 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.4 -8.06 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.514 ' O ' HD11 ' A' ' 182' ' ' ILE . 8.7 t-20 -72.03 -17.04 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 3.4 t -134.65 7.96 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.84 -45.07 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.1 t30 -54.95 -19.31 6.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -78.59 -20.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.3 m -103.09 -20.03 14.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.69 HG22 ' H ' ' A' ' 186' ' ' GLN . 63.9 mt -102.97 -44.67 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tptp 91.05 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -135.24 84.8 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 1.017 ' O ' HG23 ' A' ' 190' ' ' THR . 0.3 OUTLIER -97.56 -101.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.9 OUTLIER -38.35 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.7 t -40.45 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 1.017 HG23 ' O ' ' A' ' 187' ' ' HIS . 81.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.559 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 5.6 m120 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.822 ' CG ' HG21 ' A' ' 188' ' ' THR . 35.5 t30 75.52 -56.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.8 m-85 -73.29 -84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.02 -48.88 87.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 8.1 m-70 -50.7 -22.35 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.647 ' O ' HD12 ' A' ' 182' ' ' ILE . 40.6 t30 -44.7 -52.38 8.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.3 t -44.0 -38.33 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.331 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 86.0 t -79.67 -37.42 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 53.9 t-20 -50.13 -48.24 53.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.6 mp -40.36 -29.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.6 m -93.89 -39.28 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 37.3 mm -63.46 -35.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.58 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.393 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.6 pp0? -132.73 83.06 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 1.025 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -90.07 -110.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.615 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.822 HG21 ' CG ' ' A' ' 174' ' ' ASN . 2.2 m -38.13 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.8 t -36.29 -50.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 1.025 HG22 ' O ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.433 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.593 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.7 m120 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.491 ' N ' ' NE2' ' A' ' 187' ' ' HIS . 2.4 t30 77.75 -55.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.6 m-85 -75.01 -85.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.98 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.593 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.5 m-70 -56.27 -18.34 10.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.3 t30 -47.44 -52.54 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 40.4 t -49.19 -30.99 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 70.7 t -88.86 -27.85 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 184' ' ' ILE . 11.0 t-20 -62.22 -50.06 73.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 1.009 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -38.83 -32.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.4 m -80.86 -47.46 13.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 186' ' ' GLN . 13.5 mt -67.71 -52.39 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.204 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.1 mmtp 65.96 47.33 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 184' ' ' ILE . 8.2 mt-30 -146.97 -51.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.491 ' NE2' ' N ' ' A' ' 174' ' ' ASN . 1.6 t60 -55.0 -104.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 187' ' ' HIS . 17.6 m -33.56 -37.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 110.393 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.7 t -48.43 -55.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 187' ' ' HIS . 5.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.606 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 18.8 t-20 -123.13 -44.89 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -48.15 -53.29 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.24 -17.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.06 -7.5 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.28 -18.23 61.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.73 7.43 4.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.936 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.36 -46.29 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.527 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 9.3 t-20 -54.44 -20.07 6.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 182' ' ' ILE . 4.2 mp -77.87 -21.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 23.5 m -106.47 -21.14 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.936 HD12 ' CG1' ' A' ' 180' ' ' VAL . 95.4 mt -101.29 -41.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.0 OUTLIER 89.1 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.473 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -135.21 86.82 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -85.89 -97.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.61 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 187' ' ' HIS . 10.0 m -36.85 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -43.45 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 187' ' ' HIS . 6.2 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' ASN . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.621 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 6.9 p30 -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 174' ' ' ASN . 3.0 m-85 -49.09 -52.11 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.92 -16.96 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.16 -6.13 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.653 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.91 -20.21 60.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.3 6.1 5.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.604 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -119.61 -49.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.539 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -55.97 -18.92 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.751 ' N ' HD13 ' A' ' 182' ' ' ILE . 1.5 mm -77.78 -11.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.5 ' C ' HD12 ' A' ' 184' ' ' ILE . 6.4 m -115.06 -22.76 9.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -103.64 -37.89 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 67.61 27.86 7.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.554 ' HB2' HG22 ' A' ' 184' ' ' ILE . 2.5 mt-30 -148.27 -88.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 41.58 -106.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -33.46 -39.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 187' ' ' HIS . 11.9 t -48.78 -55.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 187' ' ' HIS . 5.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.613 ' HB2' HG23 ' A' ' 188' ' ' THR . 0.5 OUTLIER -39.08 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -77.16 -64.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.58 -57.81 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 173' ' ' ASN . 15.4 m-70 -49.28 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 63.9 t30 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 43.0 t -44.95 -37.96 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 177' ' ' HIS . 83.2 t -85.17 -30.9 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 48.2 t30 -65.57 -20.34 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.552 ' N ' HD13 ' A' ' 182' ' ' ILE . 3.0 mm -67.27 -9.85 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 15.6 m -109.96 -22.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 16.7 mt -94.83 -45.44 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.5 tptp 73.46 40.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 187' ' ' HIS . 56.3 mt-30 -152.73 -107.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 t60 37.75 -101.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 174' ' ' ASN . 88.2 m -35.48 -45.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -42.56 -51.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.9 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.568 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -121.24 -38.64 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -80.6 -61.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.34 -44.6 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.8 m170 -70.4 -7.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.072 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.538 ' O ' HD12 ' A' ' 182' ' ' ILE . 65.9 t30 -60.88 -48.15 83.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.0 t -45.17 -39.02 5.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 108.326 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 56.7 t -84.09 -29.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 178' ' ' ASN . 44.6 t-20 -58.67 -44.07 90.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.8 mp -38.39 -31.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.3 m -83.49 -50.89 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 186' ' ' GLN . 45.1 mt -60.27 -39.17 79.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 91.52 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.589 ' H ' HG22 ' A' ' 184' ' ' ILE . 1.7 pm0 -138.4 86.78 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 t60 -91.83 -99.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.7 OUTLIER -36.83 -51.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 188' ' ' THR . 26.9 t -41.32 -48.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.567 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.901 ' ND2' HG23 ' A' ' 188' ' ' THR . 1.3 t-20 66.51 -60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 173' ' ' ASN . 2.4 m-85 -73.24 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.1 -30.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 5.3 m-70 -75.66 -2.06 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.599 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.667 ' O ' HD12 ' A' ' 182' ' ' ILE . 14.1 t-20 -67.0 -39.98 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.567 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.7 t -55.37 -21.69 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.0 -21.27 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 177' ' ' HIS . 4.1 t30 -78.7 -44.1 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 178' ' ' ASN . 5.9 mt -37.84 -56.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.09 -46.11 16.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.465 ' CG2' ' CG ' ' A' ' 186' ' ' GLN . 19.5 mt -77.92 -63.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.45 ' CE ' HG22 ' A' ' 189' ' ' VAL . 0.0 OUTLIER 73.15 54.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.465 ' CG ' ' CG2' ' A' ' 184' ' ' ILE . 1.6 pp0? -132.35 -42.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.464 ' N ' ' CD ' ' A' ' 186' ' ' GLN . 0.1 OUTLIER -82.16 -85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.628 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.901 HG23 ' ND2' ' A' ' 174' ' ' ASN . 79.3 m -36.83 -32.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 55.9 t -60.46 -58.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.3 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.469 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.409 ' N ' ' HB ' ' A' ' 176' ' ' VAL . 2.6 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 p-10 -51.46 -47.08 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.31 -46.87 88.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.409 ' HB ' ' N ' ' A' ' 173' ' ' ASN . 18.3 t -53.5 -20.64 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -66.54 -12.33 57.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.635 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -68.99 -17.03 63.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.21 8.38 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 1.059 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.4 t -123.12 -43.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.523 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 7.8 t-20 -55.12 -19.27 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.387 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -76.84 -16.98 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 59.2 m -114.26 -17.24 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 1.059 HD12 ' CG1' ' A' ' 180' ' ' VAL . 55.4 mt -106.04 -39.74 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.33 39.63 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.6 mt-30 -155.44 -44.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.96 155.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.665 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.64 -52.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 188' ' ' THR . 39.3 t -69.5 -55.41 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 7.8 t-20 85.25 -44.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.28 -83.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.3 t -54.85 -21.23 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER -74.42 -3.6 31.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 181' ' ' ASN . 9.3 t30 -65.91 -48.11 72.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.82 -28.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.826 HG12 HD11 ' A' ' 184' ' ' ILE . 21.5 t -92.46 -37.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 2.3 t-20 -48.93 -44.4 40.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -46.83 -24.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 181' ' ' ASN . 94.6 m -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 180' ' ' VAL . 3.1 mp -75.25 -48.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER 80.23 19.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.346 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -148.06 -45.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -39.12 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.597 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 75.23 -53.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 188' ' ' THR . 72.0 t -73.22 -54.0 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.945 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.515 ' HB3' ' CG ' ' A' ' 177' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.403 ' HA ' ' OG1' ' A' ' 188' ' ' THR . 8.7 t30 164.92 -61.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.1 t80 -66.69 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.41 -48.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.515 ' CG ' ' HB3' ' A' ' 173' ' ' ASN . 16.9 m-70 -60.14 -16.18 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 1.063 ' O ' HD12 ' A' ' 182' ' ' ILE . 58.5 t30 -49.66 -50.32 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 31.6 t -44.73 -27.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 184' ' ' ILE . 4.8 t -100.76 -29.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 27.7 t-20 -64.88 -17.94 64.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 1.063 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.4 mp -63.35 -48.81 85.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -49.37 24.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 1.3 mp -61.86 -42.99 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.67 -42.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.482 ' N ' HG22 ' A' ' 184' ' ' ILE . 1.0 OUTLIER -124.86 81.91 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 190' ' ' THR . 60.0 t-80 -89.86 -80.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.634 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 174' ' ' ASN . 53.2 m -40.59 -34.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -48.32 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.613 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.8 p30 -39.46 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.87 -50.38 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.22 -18.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.78 -8.7 50.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.535 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.536 ' O ' HD11 ' A' ' 182' ' ' ILE . 6.3 t30 -71.35 -16.61 62.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.6 t -134.73 7.79 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 108.387 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.669 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -122.28 -45.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.537 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -54.96 -18.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.536 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -77.69 -21.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.1 m -106.2 -17.56 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.462 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.669 HD12 ' CG1' ' A' ' 180' ' ' VAL . 72.6 mt -105.21 -43.86 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 71.28 28.85 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 3.2 tt0 -155.28 -82.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER 38.8 -102.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 1.2 m -35.54 -57.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.362 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 54.1 t -39.61 -48.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.6 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.584 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 2.2 t30 -51.37 -65.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.38 -47.52 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.65 -21.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.394 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.678 ' CE1' HG21 ' A' ' 188' ' ' THR . 0.0 OUTLIER -65.13 -13.04 57.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.642 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -69.12 -16.84 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.85 8.2 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -123.23 -43.59 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 8.1 t-20 -54.84 -19.07 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -75.68 -14.66 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.406 ' C ' HD12 ' A' ' 184' ' ' ILE . 65.6 m -114.71 -25.23 8.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.809 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -99.9 -38.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.62 39.41 30.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 34.3 mt-30 -155.33 -43.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.426 ' CD2' HG11 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.26 154.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.563 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.678 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.85 -53.12 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.494 ' N ' HG22 ' A' ' 188' ' ' THR . 38.0 t -69.72 -13.94 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.996 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.1 m120 -62.34 -57.36 11.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.47 -46.61 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.32 -19.93 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.63 -11.22 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.88 -16.37 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.93 8.36 3.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.239 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.474 HG13 HD13 ' A' ' 184' ' ' ILE . 2.3 t -123.55 -44.58 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 56.0 t30 -54.36 -18.99 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.175 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.3 mp -73.2 -17.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.55 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.0 m -115.4 -20.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 183' ' ' THR . 1.4 mp -100.13 -38.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 50.18 43.66 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.2 mt-30 -155.32 -44.26 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 188' ' ' THR . 9.0 m-70 -38.75 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 76.31 -52.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.468 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 188' ' ' THR . 75.7 t -67.68 -33.62 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m120 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -38.99 -35.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.52 -63.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.58 -20.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 173' ' ' ASN . 14.4 m170 -79.17 1.86 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.36 -63.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.25 -26.18 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER -89.53 -32.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 3.7 t-20 -52.64 -38.63 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -62.4 -14.44 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.7 m -103.54 -38.5 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.8 OUTLIER -76.59 -42.49 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER 82.15 20.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.456 ' HG2' ' CG2' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -155.1 -43.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 177' ' ' HIS . 0.1 OUTLIER -39.03 152.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.606 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 79.2 -52.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.489 ' N ' HG22 ' A' ' 188' ' ' THR . 94.0 t -64.04 -26.96 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.0 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 188' ' ' THR . 17.3 t-20 73.39 -57.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.7 m-85 -72.11 -85.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.21 -46.05 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.2 m-70 -53.78 -20.24 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' ASN . . . . . 0.924 ' O ' HD12 ' A' ' 182' ' ' ILE . 41.5 t30 -46.8 -46.58 20.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' CYS . . . . . 0.483 ' HA ' HD13 ' A' ' 182' ' ' ILE . 41.6 t -46.84 -34.69 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.292 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 177' ' ' HIS . 93.4 t -86.29 -30.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 24.6 t30 -59.12 -45.58 90.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' ILE . . . . . 0.924 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.4 mp -39.14 -45.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 7.7 m -60.05 -67.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.357 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 184' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 9.4 mt -51.06 -47.16 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 84.46 31.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 186' ' ' GLN . . . . . 0.56 ' OE1' HG11 ' A' ' 189' ' ' VAL . 1.4 tt0 -155.09 -87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 1.036 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER 32.42 -105.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.707 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 174' ' ' ASN . 2.7 m -33.05 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 189' ' ' VAL . . . . . 0.56 HG11 ' OE1' ' A' ' 186' ' ' GLN . 1.2 t -39.53 -29.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 190' ' ' THR . . . . . 1.036 HG23 ' O ' ' A' ' 187' ' ' HIS . 35.1 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.56 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m-80 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 1.3 t30 77.59 -56.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -71.27 -81.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.4 t -51.75 -37.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 20.5 m170 -61.61 -20.04 62.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 182' ' ' ILE . 44.0 t30 -47.25 -53.13 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -47.61 -35.92 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 177' ' ' HIS . 13.5 t -83.63 -29.83 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 56.3 t30 -57.77 -54.21 49.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -40.02 -30.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.439 ' N ' ' C ' ' A' ' 181' ' ' ASN . 8.3 m -88.54 -44.08 10.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 181' ' ' ASN . 52.4 mt -63.22 -45.0 99.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.45 27.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 8.7 mt-30 -155.02 -44.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -39.95 154.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.67 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.482 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 78.41 -52.92 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.482 ' N ' HG22 ' A' ' 188' ' ' THR . 43.0 t -67.23 -59.71 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 191' ' ' THR . 13.7 t -51.43 -51.54 54.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.75 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.656 ' O ' HG22 ' A' ' 193' ' ' THR . 2.6 p -74.01 -48.85 27.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 192' ' ' THR . 13.3 t 47.76 -157.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 163.15 -63.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.113 . . . . 0.0 110.962 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.565 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.4 m-80 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CB ' ' OG1' ' A' ' 188' ' ' THR . 24.5 t-20 75.55 -56.99 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.6 m-85 -73.24 -85.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.56 -47.91 90.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 7.7 m-70 -51.77 -21.78 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.92 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.2 t30 -45.05 -50.44 10.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.492 ' HA ' HD13 ' A' ' 182' ' ' ILE . 37.2 t -45.86 -37.96 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 55.8 t -84.54 -30.01 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 37.4 t30 -59.03 -43.49 91.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.1 mp -39.67 -47.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -68.29 -67.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 82.1 mt -42.72 -36.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 88.33 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.0 pm0 -129.38 78.53 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 1.046 ' O ' HG23 ' A' ' 190' ' ' THR . 3.2 t60 -83.94 -98.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.534 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.6 OUTLIER -38.11 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 187' ' ' HIS . 56.0 t -40.95 -29.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 1.046 HG23 ' O ' ' A' ' 187' ' ' HIS . 69.8 p -38.6 -91.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.526 ' O ' ' CB ' ' A' ' 192' ' ' THR . 8.4 p -142.16 -76.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.526 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 84.06 -12.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.707 HG23 ' N ' ' A' ' 194' ' ' LYS . 6.1 t -77.49 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.707 ' N ' HG23 ' A' ' 193' ' ' THR . 0.0 OUTLIER 73.19 113.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.556 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.687 ' ND2' HG23 ' A' ' 188' ' ' THR . 30.7 t-20 70.98 -58.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.4 m-85 -71.93 -83.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.73 -47.62 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 7.2 m-70 -52.64 -21.13 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 42.5 t30 -45.17 -52.25 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.453 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.5 t -46.13 -37.1 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.247 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 184' ' ' ILE . 21.7 t -85.45 -30.36 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 178' ' ' ASN . 57.7 t-20 -59.84 -35.35 74.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mt -48.24 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -53.7 -68.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 180' ' ' VAL . 1.6 mp -41.07 -48.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.8 OUTLIER 85.43 21.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 181' ' ' ASN . 1.0 OUTLIER -145.34 -98.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.606 ' HA ' HG22 ' A' ' 190' ' ' THR . 0.1 OUTLIER 53.15 -95.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.687 HG23 ' ND2' ' A' ' 174' ' ' ASN . 3.2 m -36.73 -32.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.735 HG22 ' HA3' ' A' ' 195' ' ' GLY . 60.0 t -87.64 -48.32 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.606 HG22 ' HA ' ' A' ' 187' ' ' HIS . 1.2 t -56.86 -35.24 68.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 5.5 m -38.87 -55.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.586 HG22 HG22 ' A' ' 193' ' ' THR . 4.1 m -145.26 -75.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.586 HG22 HG22 ' A' ' 192' ' ' THR . 9.7 t -172.83 -39.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 193' ' ' THR . 11.4 mttt -39.37 -55.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.735 ' HA3' HG22 ' A' ' 189' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 6.1 m-80 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.472 ' CG ' HG21 ' A' ' 188' ' ' THR . 55.9 t30 76.67 -57.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -52.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.35 -40.87 57.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.9 m170 -60.61 -20.06 59.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.602 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 1.016 ' O ' HD12 ' A' ' 182' ' ' ILE . 53.2 t30 -46.99 -51.6 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -42.88 -29.15 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 108.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.795 ' CG1' HD12 ' A' ' 184' ' ' ILE . 6.3 t -100.28 -33.25 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 185' ' ' LYS . 1.1 t30 -60.72 -18.59 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 1.016 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.0 mp -71.48 -55.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.7 m -64.96 -50.0 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.795 HD12 ' CG1' ' A' ' 180' ' ' VAL . 57.1 mt -68.96 -38.9 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.88 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.565 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.9 OUTLIER -133.44 84.16 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -97.83 -81.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 174' ' ' ASN . 0.4 OUTLIER -40.73 -37.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -57.4 -60.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.34 -44.08 88.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 61.7 m -38.97 -57.1 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.387 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 16.3 m -154.03 -75.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 6.3 t -172.91 -176.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 166.29 -64.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.417 1.073 . . . . 0.0 111.012 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.773 ' ND2' HG23 ' A' ' 188' ' ' THR . 5.8 t30 72.7 -57.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 3.2 m-85 -73.95 -81.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.88 -51.27 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 9.2 m-70 -49.4 -22.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.531 ' O ' HD12 ' A' ' 182' ' ' ILE . 45.6 t30 -43.82 -53.41 6.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.391 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 182' ' ' ILE . 37.5 t -43.14 -38.56 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 177' ' ' HIS . 69.0 t -86.17 -34.27 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.0 t30 -56.9 -40.61 76.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.531 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.9 mt -40.2 -69.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -39.79 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 185' ' ' LYS . 14.4 mt -90.61 -77.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.526 ' N ' HG22 ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.7 56.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -147.31 -52.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.4 OUTLIER -53.82 -103.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.689 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.773 HG23 ' ND2' ' A' ' 174' ' ' ASN . 1.8 m -35.57 -34.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.2 t -46.54 -47.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' A' ' 191' ' ' THR . 4.7 t -67.37 -51.2 54.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.738 HG22 ' N ' ' A' ' 192' ' ' THR . 0.9 OUTLIER 166.08 -81.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.738 ' N ' HG22 ' A' ' 191' ' ' THR . 1.4 m -166.99 -48.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 1.0 OUTLIER -78.57 163.83 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 193' ' ' THR . 7.2 tttp 86.92 159.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.422 1.077 . . . . 0.0 110.942 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.8 m120 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 18.4 t-20 77.38 -55.21 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.3 m-85 -75.73 -85.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.46 -47.19 93.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.654 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.1 m-70 -52.63 -20.93 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 1.174 . . . . 0.0 109.618 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 182' ' ' ILE . 50.0 t30 -48.11 -32.93 7.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 182' ' ' ILE . 11.4 t -55.84 -38.05 69.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 177' ' ' HIS . 72.2 t -96.51 -28.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -66.97 -41.58 86.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 178' ' ' ASN . 6.8 mt -40.48 -69.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 182' ' ' ILE . 0.9 OUTLIER -38.16 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 27.3 mt -87.71 -76.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 86.66 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -134.93 -63.17 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 189' ' ' VAL . 0.1 OUTLIER -53.53 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.536 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 192' ' ' THR . 15.8 m -37.1 -32.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 187' ' ' HIS . 33.5 t -68.61 -58.92 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 187' ' ' HIS . 1.2 t -54.51 -34.89 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 192' ' ' THR . 2.3 p -94.93 -87.04 0.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.97 -12.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 194' ' ' LYS . 97.2 m 51.69 174.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.515 ' N ' HG22 ' A' ' 193' ' ' THR . 0.0 OUTLIER 87.81 112.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.062 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 174' ' ' ASN . 28.3 p-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.862 ' HB2' HG23 ' A' ' 188' ' ' THR . 23.3 p30 -38.36 -31.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.1 t80 -70.12 -63.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.89 -49.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 181' ' ' ASN . 10.0 m170 -57.57 -18.27 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.55 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.4 t-20 -48.37 -51.38 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 42.1 t -46.56 -26.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 108.236 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.571 HG12 HD12 ' A' ' 184' ' ' ILE . 19.3 t -99.04 -29.74 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 177' ' ' HIS . 12.3 t-20 -58.12 -25.15 61.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 0.8 OUTLIER -75.02 -10.28 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 41.7 m -114.76 -18.16 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.617 HG22 ' HB2' ' A' ' 186' ' ' GLN . 48.4 mt -104.58 -40.64 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.8 mmtp 51.64 57.54 6.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.617 ' HB2' HG22 ' A' ' 184' ' ' ILE . 1.6 mt-30 -150.76 -50.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 0.4 OUTLIER -56.96 -103.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.862 HG23 ' HB2' ' A' ' 174' ' ' ASN . 1.6 m -35.17 -45.43 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 50.4 t -41.84 -51.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.1 t -49.17 -40.52 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.62 -51.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 193' ' ' THR . 1.2 m -168.89 -57.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 192' ' ' THR . 13.8 t 44.63 -160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.454 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER 163.2 105.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.7 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.615 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 7.9 t30 -40.14 -52.95 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -49.02 -53.3 20.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.71 -16.85 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.615 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.04 -7.72 48.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.606 1.191 . . . . 0.0 109.558 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -73.02 -17.65 61.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.2 t -131.69 7.05 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.337 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.67 -47.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.58 1.175 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 13.4 t30 -53.47 -20.61 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.3 mp -70.75 -15.11 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -113.88 -21.7 10.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.616 1.198 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.716 HD12 ' CG1' ' A' ' 180' ' ' VAL . 87.0 mt -94.66 -36.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.6 OUTLIER 87.54 -46.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 0.0 OUTLIER -136.05 86.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.3 OUTLIER -86.58 -95.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.56 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 187' ' ' HIS . 1.8 m -36.17 -37.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.424 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 23.8 t -49.23 -56.55 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.4 t -48.38 -48.79 36.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.47 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.59 -51.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 191' ' ' THR . 0.9 OUTLIER 168.6 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.347 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 2.1 t -49.63 -51.04 40.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 193' ' ' THR . 4.3 tttt 64.14 -78.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 193' ' ' THR . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 10.7 m120 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 14.1 t-20 81.51 -52.86 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.9 OUTLIER -78.67 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.93 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.56 -55.43 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 15.1 m-70 -52.04 -21.55 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.519 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 1.012 ' O ' HD12 ' A' ' 182' ' ' ILE . 13.8 t-20 -44.89 -51.73 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.414 ' HA ' HD13 ' A' ' 182' ' ' ILE . 35.0 t -44.51 -38.16 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 54.9 t -87.07 -29.8 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.594 1.184 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.8 t-20 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 1.012 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.2 mp -39.24 -43.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 4.8 m -79.19 -51.88 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 48.2 mt -50.21 -36.52 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.3 tpmp? 89.07 -44.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.233 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.1 pp0? -140.41 89.03 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 1.03 ' O ' HG23 ' A' ' 190' ' ' THR . 2.0 t60 -85.98 -101.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -37.77 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.574 1.171 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.6 -26.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 187' ' ' HIS . 47.6 p -37.23 -41.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 2.6 p -106.43 -76.1 0.62 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.2 m -168.36 -55.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 194' ' ' LYS . 10.2 t -162.24 -50.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 193' ' ' THR . 0.1 OUTLIER 41.27 74.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.349 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' A' ' 188' ' ' THR . 2.6 p30 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -75.32 -61.77 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.76 -56.21 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 173' ' ' ASN . 18.7 m-70 -51.95 -21.04 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 13.9 t-20 -45.83 -52.0 11.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 44.1 t -44.19 -33.44 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 108.211 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 184' ' ' ILE . 2.4 t -93.06 -31.51 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 49.7 t30 -55.2 -34.31 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 182' ' ' ILE . 1.0 OUTLIER -69.89 -11.54 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.1 m -111.21 -26.09 9.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 187' ' ' HIS . 10.4 mt -90.56 -40.22 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 81.57 20.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.452 ' HB2' HG22 ' A' ' 184' ' ' ILE . 4.8 mt-30 -146.13 -98.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.561 ' CD2' HD12 ' A' ' 184' ' ' ILE . 1.3 m-70 46.99 -94.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 174' ' ' ASN . 83.7 m -37.83 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.5 t -88.73 -47.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.403 1.065 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 187' ' ' HIS . 0.9 OUTLIER -53.9 -34.86 60.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 7.3 m -62.99 -54.44 38.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 193' ' ' THR . 1.5 m -150.6 -81.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.425 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 192' ' ' THR . 0.5 OUTLIER 82.94 -48.67 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.417 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.9 OUTLIER -39.43 125.66 1.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 175' ' ' PHE . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.607 ' HB3' HG21 ' A' ' 188' ' ' THR . 3.3 p-10 -38.51 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 173' ' ' ASN . 3.5 m-85 -70.68 -58.68 3.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.9 -47.66 78.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 187' ' ' HIS . 8.5 m170 -61.78 -17.26 55.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 181' ' ' ASN . 41.9 t30 -49.73 -51.49 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.5 t -43.57 -28.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 178' ' ' ASN . 3.3 t -99.45 -32.81 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.356 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 185' ' ' LYS . 64.2 t30 -55.59 -25.27 37.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -74.86 -9.83 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.3 m -114.3 -26.27 8.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 85.4 mt -97.45 -36.07 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.7 OUTLIER 92.14 -48.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.241 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 184' ' ' ILE . 2.4 pm0 -134.41 84.27 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.678 ' O ' HG22 ' A' ' 190' ' ' THR . 0.8 OUTLIER -90.68 -79.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.654 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -57.39 -33.83 68.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.33 -31.21 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.3 t -64.96 -35.07 79.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 96.9 m -57.17 -60.93 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.372 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 8.9 m -116.42 -86.22 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.666 HG23 ' N ' ' A' ' 194' ' ' LYS . 2.5 t -173.86 -159.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.666 ' N ' HG23 ' A' ' 193' ' ' THR . 0.2 OUTLIER 87.22 68.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.608 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 15.3 p-10 -53.03 -42.81 66.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -48.64 -51.78 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 29.0 t -60.81 -18.16 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.18 -7.55 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.632 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 182' ' ' ILE . 6.5 t-20 -72.24 -17.86 61.87 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.01 7.59 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.945 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.63 -46.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 9.0 t-20 -54.57 -20.14 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 178' ' ' ASN . 4.9 mp -78.45 -19.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.6 m -107.67 -21.58 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.945 HD12 ' CG1' ' A' ' 180' ' ' VAL . 89.7 mt -101.73 -40.14 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 88.92 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.477 ' O ' ' CG ' ' A' ' 186' ' ' GLN . 1.3 pp0? -134.2 85.87 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.504 ' H ' ' ND2' ' A' ' 181' ' ' ASN . 0.3 OUTLIER -82.36 -101.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.565 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 187' ' ' HIS . 2.4 m -37.46 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 6.6 t -50.25 -51.45 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 187' ' ' HIS . 3.6 t -47.0 -40.81 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 12.2 m -72.66 -79.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.9 m -160.2 -79.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 110.474 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.2 t -162.14 -49.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 193' ' ' THR . 7.6 mttm 54.1 -97.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.4 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.625 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -40.31 -63.47 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.05 -52.77 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 180' ' ' VAL . 3.5 t -62.45 -19.24 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.625 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.28 -9.46 41.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.444 ' O ' HD13 ' A' ' 182' ' ' ILE . 5.9 t30 -73.78 -11.03 60.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.4 t -130.43 6.13 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 176' ' ' VAL . 14.6 t -125.84 -47.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.547 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.8 t30 -56.71 -18.16 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -74.09 -13.12 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.6 m -114.76 -17.77 11.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.556 HD12 HG12 ' A' ' 180' ' ' VAL . 74.6 mt -102.65 -38.87 5.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.2 tpmp? 88.55 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.212 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.417 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -129.76 83.51 2.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 1.019 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -92.78 -102.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.602 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.431 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.7 OUTLIER -38.17 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -44.26 -26.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 187' ' ' HIS . 49.7 p -37.57 -58.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.504 ' O ' ' CB ' ' A' ' 192' ' ' THR . 2.4 p -100.85 -59.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.98 -12.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 194' ' ' LYS . 1.3 m -63.77 -68.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER -39.36 139.18 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.62 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.6 p-10 -40.5 -58.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -47.99 -54.63 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.84 -17.89 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.88 -7.81 43.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.516 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -73.46 -17.17 61.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.73 7.06 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.546 ' CG1' HD13 ' A' ' 184' ' ' ILE . 2.4 t -122.11 -48.37 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.7 t30 -53.1 -20.88 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.2 mp -70.07 -8.85 11.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 1.8 m -114.47 -29.55 6.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.382 1.051 . . . . 0.0 110.412 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.546 HD13 ' CG1' ' A' ' 180' ' ' VAL . 3.4 mp -90.31 -37.49 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.0 OUTLIER 89.78 -40.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.537 ' H ' HG22 ' A' ' 184' ' ' ILE . 2.0 pp0? -138.43 87.61 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 188' ' ' THR . 0.4 OUTLIER -89.3 -92.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 174' ' ' ASN . 2.9 m -36.43 -36.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 3.4 t -51.9 -55.35 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.5 t -64.99 -42.3 94.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.463 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.5 -51.19 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.3 m -167.01 -57.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.7 m -47.14 166.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.0 OUTLIER 72.19 102.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.622 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 59.0 t-20 -40.44 -56.59 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -47.17 -53.93 11.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.72 -19.59 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.4 -8.06 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.575 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.514 ' O ' HD11 ' A' ' 182' ' ' ILE . 8.7 t-20 -72.03 -17.04 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 3.4 t -134.65 7.96 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.84 -45.07 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 1.1 t30 -54.95 -19.31 6.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -78.59 -20.06 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.3 m -103.09 -20.03 14.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.69 HG22 ' H ' ' A' ' 186' ' ' GLN . 63.9 mt -102.97 -44.67 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.1 tptp 91.05 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.69 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -135.24 84.8 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 1.017 ' O ' HG23 ' A' ' 190' ' ' THR . 0.3 OUTLIER -97.56 -101.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.606 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 190' ' ' THR . 0.9 OUTLIER -38.35 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.7 t -40.45 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 1.017 HG23 ' O ' ' A' ' 187' ' ' HIS . 81.4 p -38.33 -54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 27.9 m -39.7 -58.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 17.9 m -62.7 -59.6 4.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.375 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 2.1 m -50.1 164.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.402 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.1 OUTLIER 79.66 129.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.559 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 5.6 m120 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.822 ' CG ' HG21 ' A' ' 188' ' ' THR . 35.5 t30 75.52 -56.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.8 m-85 -73.29 -84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.02 -48.88 87.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 8.1 m-70 -50.7 -22.35 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.647 ' O ' HD12 ' A' ' 182' ' ' ILE . 40.6 t30 -44.7 -52.38 8.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 35.3 t -44.0 -38.33 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 108.331 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' HIS . 86.0 t -79.67 -37.42 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 53.9 t-20 -50.13 -48.24 53.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.6 mp -40.36 -29.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.6 m -93.89 -39.28 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 37.3 mm -63.46 -35.82 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.58 -52.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.393 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 186' ' ' GLN . 1.6 pp0? -132.73 83.06 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 1.025 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER -90.07 -110.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.095 . . . . 0.0 109.615 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.822 HG21 ' CG ' ' A' ' 174' ' ' ASN . 2.2 m -38.13 -29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 187' ' ' HIS . 86.8 t -36.29 -50.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 1.025 HG22 ' O ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -44.86 -82.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.433 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.733 ' H ' HG23 ' A' ' 190' ' ' THR . 54.4 m -157.08 -78.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 193' ' ' THR . 2.7 m -163.75 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 194' ' ' LYS . 17.5 m 36.57 -102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 193' ' ' THR . 3.0 mttt -39.05 106.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.593 ' ND2' ' CE1' ' A' ' 177' ' ' HIS . 5.7 m120 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.491 ' N ' ' NE2' ' A' ' 187' ' ' HIS . 2.4 t30 77.75 -55.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.6 m-85 -75.01 -85.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.98 -44.87 99.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.593 ' CE1' ' ND2' ' A' ' 173' ' ' ASN . 7.5 m-70 -56.27 -18.34 10.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 1.009 ' O ' HD12 ' A' ' 182' ' ' ILE . 42.3 t30 -47.44 -52.54 16.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 40.4 t -49.19 -30.99 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 177' ' ' HIS . 70.7 t -88.86 -27.85 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 184' ' ' ILE . 11.0 t-20 -62.22 -50.06 73.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.38 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 1.009 HD12 ' O ' ' A' ' 178' ' ' ASN . 3.3 mp -38.83 -32.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.277 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 181' ' ' ASN . 1.4 m -80.86 -47.46 13.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 186' ' ' GLN . 13.5 mt -67.71 -52.39 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.204 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.1 mmtp 65.96 47.33 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 184' ' ' ILE . 8.2 mt-30 -146.97 -51.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.491 ' NE2' ' N ' ' A' ' 174' ' ' ASN . 1.6 t60 -55.0 -104.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 187' ' ' HIS . 17.6 m -33.56 -37.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 110.393 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 187' ' ' HIS . 2.7 t -48.43 -55.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.632 HG23 HG23 ' A' ' 191' ' ' THR . 5.3 t -44.31 -42.76 6.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.632 HG23 HG23 ' A' ' 190' ' ' THR . 3.5 p -96.95 -88.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.445 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.91 -11.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 2.6 t -86.63 -179.17 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.365 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 194' ' ' LYS . 0.0 OUTLIER -178.96 140.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.417 1.073 . . . . 0.0 110.988 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.606 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 18.8 t-20 -123.13 -44.89 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -48.15 -53.29 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.24 -17.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -70.06 -7.5 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.28 -18.23 61.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.73 7.43 4.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.936 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -121.36 -46.29 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.527 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 9.3 t-20 -54.44 -20.07 6.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 182' ' ' ILE . 4.2 mp -77.87 -21.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 23.5 m -106.47 -21.14 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.936 HD12 ' CG1' ' A' ' 180' ' ' VAL . 95.4 mt -101.29 -41.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.229 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 1.0 OUTLIER 89.1 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.473 ' H ' HG22 ' A' ' 184' ' ' ILE . 0.0 OUTLIER -135.21 86.82 2.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER -85.89 -97.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.61 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 187' ' ' HIS . 10.0 m -36.85 -32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 187' ' ' HIS . 3.4 t -43.45 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 187' ' ' HIS . 6.2 p -38.21 -52.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 21.2 m -44.19 -58.62 2.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 16.2 m -61.76 -57.52 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 1.1 m -48.15 149.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -177.91 163.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.425 1.078 . . . . 0.0 110.942 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 174' ' ' ASN . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.621 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 6.9 p30 -39.81 -49.19 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.4 ' N ' ' OD1' ' A' ' 174' ' ' ASN . 3.0 m-85 -49.09 -52.11 27.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 3.6 t -62.92 -16.96 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -71.16 -6.13 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.653 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.91 -20.21 60.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.3 6.1 5.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.172 . . . . 0.0 108.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.604 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -119.61 -49.33 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.539 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.7 OUTLIER -55.97 -18.92 10.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.751 ' N ' HD13 ' A' ' 182' ' ' ILE . 1.5 mm -77.78 -11.82 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.5 ' C ' HD12 ' A' ' 184' ' ' ILE . 6.4 m -115.06 -22.76 9.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -103.64 -37.89 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 67.61 27.86 7.61 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.554 ' HB2' HG22 ' A' ' 184' ' ' ILE . 2.5 mt-30 -148.27 -88.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 177' ' ' HIS . 0.3 OUTLIER 41.58 -106.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.479 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 0.9 OUTLIER -33.46 -39.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' THR . 11.9 t -48.78 -55.4 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 187' ' ' HIS . 5.3 t -38.14 -42.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 26.3 m -40.52 -66.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 193' ' ' THR . 17.2 p -101.3 -54.79 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 192' ' ' THR . 13.3 t 46.18 -160.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 193' ' ' THR . 1.3 mttp 166.35 -67.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.083 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 177' ' ' HIS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.613 ' HB2' HG23 ' A' ' 188' ' ' THR . 0.5 OUTLIER -39.08 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.2 m-85 -77.16 -64.11 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.58 -57.81 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 173' ' ' ASN . 15.4 m-70 -49.28 -22.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.552 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 175' ' ' PHE . 63.9 t30 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 43.0 t -44.95 -37.96 4.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.29 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 177' ' ' HIS . 83.2 t -85.17 -30.9 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 48.2 t30 -65.57 -20.34 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.552 ' N ' HD13 ' A' ' 182' ' ' ILE . 3.0 mm -67.27 -9.85 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 15.6 m -109.96 -22.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' A' ' 186' ' ' GLN . 16.7 mt -94.83 -45.44 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.5 tptp 73.46 40.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 187' ' ' HIS . 56.3 mt-30 -152.73 -107.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 190' ' ' THR . 1.7 t60 37.75 -101.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.613 HG23 ' HB2' ' A' ' 174' ' ' ASN . 88.2 m -35.48 -45.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -42.56 -51.39 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.9 t -47.51 -40.54 18.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 188' ' ' THR . 68.6 m -68.62 -48.58 63.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 7.2 m -59.33 -55.88 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.472 ' O ' ' CB ' ' A' ' 194' ' ' LYS . 1.9 m -141.34 167.21 22.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.3 OUTLIER 85.35 97.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.568 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -121.24 -38.64 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 0.3 OUTLIER -80.6 -61.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 62.3 t -62.34 -44.6 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.8 m170 -70.4 -7.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.072 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.538 ' O ' HD12 ' A' ' 182' ' ' ILE . 65.9 t30 -60.88 -48.15 83.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 37.0 t -45.17 -39.02 5.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 108.326 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 56.7 t -84.09 -29.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 178' ' ' ASN . 44.6 t-20 -58.67 -44.07 90.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.8 mp -38.39 -31.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 181' ' ' ASN . 1.3 m -83.49 -50.89 7.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 186' ' ' GLN . 45.1 mt -60.27 -39.17 79.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 91.52 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 179.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.589 ' H ' HG22 ' A' ' 184' ' ' ILE . 1.7 pm0 -138.4 86.78 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 190' ' ' THR . 1.8 t60 -91.83 -99.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 189' ' ' VAL . 0.7 OUTLIER -36.83 -51.15 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.388 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 188' ' ' THR . 26.9 t -41.32 -48.36 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 187' ' ' HIS . 1.8 t -44.19 -40.94 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.518 HG22 ' HB ' ' A' ' 193' ' ' THR . 9.0 m -47.57 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.9 -12.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.518 ' HB ' HG22 ' A' ' 191' ' ' THR . 1.2 m -52.45 141.46 19.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.072 . . . . 0.0 110.349 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.477 ' HZ3' ' N ' ' A' ' 195' ' ' GLY . 0.1 OUTLIER 174.56 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . 0.477 ' N ' ' HZ3' ' A' ' 194' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.567 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.901 ' ND2' HG23 ' A' ' 188' ' ' THR . 1.3 t-20 66.51 -60.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 173' ' ' ASN . 2.4 m-85 -73.24 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.1 -30.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 5.3 m-70 -75.66 -2.06 27.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.599 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.667 ' O ' HD12 ' A' ' 182' ' ' ILE . 14.1 t-20 -67.0 -39.98 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.567 ' HA ' HD12 ' A' ' 182' ' ' ILE . 37.7 t -55.37 -21.69 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.0 -21.27 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 177' ' ' HIS . 4.1 t30 -78.7 -44.1 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.175 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 178' ' ' ASN . 5.9 mt -37.84 -56.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.09 -46.11 16.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 110.426 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.465 ' CG2' ' CG ' ' A' ' 186' ' ' GLN . 19.5 mt -77.92 -63.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.45 ' CE ' HG22 ' A' ' 189' ' ' VAL . 0.0 OUTLIER 73.15 54.96 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.465 ' CG ' ' CG2' ' A' ' 184' ' ' ILE . 1.6 pp0? -132.35 -42.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.464 ' N ' ' CD ' ' A' ' 186' ' ' GLN . 0.1 OUTLIER -82.16 -85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.628 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.901 HG23 ' ND2' ' A' ' 174' ' ' ASN . 79.3 m -36.83 -32.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 187' ' ' HIS . 55.9 t -60.46 -58.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.3 t -58.0 -47.68 82.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.469 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 190' ' ' THR . 0.9 OUTLIER 168.44 -65.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.448 ' N ' HG22 ' A' ' 191' ' ' THR . 1.1 m -163.45 -68.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.477 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 4.6 t -164.28 -45.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 110.425 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.05 -165.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.999 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.409 ' N ' ' HB ' ' A' ' 176' ' ' VAL . 2.6 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.597 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 p-10 -51.46 -47.08 63.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.31 -46.87 88.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.409 ' HB ' ' N ' ' A' ' 173' ' ' ASN . 18.3 t -53.5 -20.64 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -66.54 -12.33 57.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.635 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -68.99 -17.03 63.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.21 8.38 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 1.059 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.4 t -123.12 -43.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.523 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 7.8 t-20 -55.12 -19.27 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.387 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -76.84 -16.98 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 59.2 m -114.26 -17.24 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 1.059 HD12 ' CG1' ' A' ' 180' ' ' VAL . 55.4 mt -106.04 -39.74 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.33 39.63 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 187' ' ' HIS . 1.6 mt-30 -155.44 -44.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.96 155.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.665 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.64 -52.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.481 ' N ' HG22 ' A' ' 188' ' ' THR . 39.3 t -69.5 -55.41 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.68 HG23 ' H ' ' A' ' 191' ' ' THR . 0.1 OUTLIER -43.06 -63.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.68 ' H ' HG23 ' A' ' 190' ' ' THR . 2.5 p -39.66 -59.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 12.7 m -160.45 -69.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 194' ' ' LYS . 14.7 t -174.16 -51.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 193' ' ' THR . 0.2 OUTLIER 40.83 81.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.239 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.916 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.535 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 173' ' ' ASN . 7.8 t-20 85.25 -44.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.28 -83.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 74.3 t -54.85 -21.23 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.595 ' C ' ' CD2' ' A' ' 177' ' ' HIS . 0.0 OUTLIER -74.42 -3.6 31.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.606 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 181' ' ' ASN . 9.3 t30 -65.91 -48.11 72.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.82 -28.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.826 HG12 HD11 ' A' ' 184' ' ' ILE . 21.5 t -92.46 -37.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 178' ' ' ASN . 2.3 t-20 -48.93 -44.4 40.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 178' ' ' ASN . 1.1 mp -46.83 -24.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 181' ' ' ASN . 94.6 m -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.584 1.178 . . . . 0.0 110.383 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 180' ' ' VAL . 3.1 mp -75.25 -48.95 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.5 OUTLIER 80.23 19.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.346 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 187' ' ' HIS . 0.1 OUTLIER -148.06 -45.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 177' ' ' HIS . 0.8 OUTLIER -39.12 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.597 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 75.23 -53.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.597 HG23 HG22 ' A' ' 188' ' ' THR . 72.0 t -73.22 -54.0 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.224 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 191' ' ' THR . 1.8 t -38.02 -50.76 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 193' ' ' THR . 98.4 m -38.9 -80.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.34 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.526 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.1 m 83.93 -11.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.413 1.07 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.631 ' H ' HG22 ' A' ' 191' ' ' THR . 3.0 m -39.26 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -39.43 114.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.515 ' HB3' ' CG ' ' A' ' 177' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.403 ' HA ' ' OG1' ' A' ' 188' ' ' THR . 8.7 t30 164.92 -61.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 1.1 t80 -66.69 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.41 -48.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.515 ' CG ' ' HB3' ' A' ' 173' ' ' ASN . 16.9 m-70 -60.14 -16.18 30.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.588 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 1.063 ' O ' HD12 ' A' ' 182' ' ' ILE . 58.5 t30 -49.66 -50.32 43.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 31.6 t -44.73 -27.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.453 ' CG1' HD13 ' A' ' 184' ' ' ILE . 4.8 t -100.76 -29.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 178' ' ' ASN . 27.7 t-20 -64.88 -17.94 64.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 1.063 HD12 ' O ' ' A' ' 178' ' ' ASN . 1.4 mp -63.35 -48.81 85.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -49.37 24.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 1.3 mp -61.86 -42.99 96.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.1 OUTLIER 87.67 -42.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.482 ' N ' HG22 ' A' ' 184' ' ' ILE . 1.0 OUTLIER -124.86 81.91 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 190' ' ' THR . 60.0 t-80 -89.86 -80.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.634 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 174' ' ' ASN . 53.2 m -40.59 -34.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -48.32 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 191' ' ' THR . 1.0 OUTLIER -51.45 -43.13 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.454 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 190' ' ' THR . 2.4 m 81.62 -51.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 3.7 m -161.21 -58.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 110.406 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 194' ' ' LYS . 1.2 m -152.12 -65.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 193' ' ' THR . 0.0 OUTLIER -39.37 124.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.041 179.899 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 174' ' ' ASN . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.613 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.8 p30 -39.46 -47.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -48.87 -50.38 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 1.19 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.22 -18.24 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -69.78 -8.7 50.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.535 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.536 ' O ' HD11 ' A' ' 182' ' ' ILE . 6.3 t30 -71.35 -16.61 62.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.6 t -134.73 7.79 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 0.0 108.387 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.669 ' CG1' HD12 ' A' ' 184' ' ' ILE . 2.3 t -122.28 -45.03 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.537 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 0.5 OUTLIER -54.96 -18.89 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.536 HD11 ' O ' ' A' ' 178' ' ' ASN . 3.9 mp -77.69 -21.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.1 m -106.2 -17.56 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.462 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.669 HD12 ' CG1' ' A' ' 180' ' ' VAL . 72.6 mt -105.21 -43.86 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 71.28 28.85 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 187' ' ' HIS . 3.2 tt0 -155.28 -82.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 190' ' ' THR . 0.3 OUTLIER 38.8 -102.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.498 ' OG1' ' CB ' ' A' ' 174' ' ' ASN . 1.2 m -35.54 -57.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.362 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 54.1 t -39.61 -48.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 187' ' ' HIS . 2.6 t -38.43 -38.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.616 HG22 ' H ' ' A' ' 193' ' ' THR . 93.7 m -61.84 -76.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 191' ' ' THR . 2.0 m 83.88 -12.02 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.471 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.616 ' H ' HG22 ' A' ' 191' ' ' THR . 1.4 m -86.39 154.87 20.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.72 156.47 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.584 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 2.2 t30 -51.37 -65.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -62.38 -47.52 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.65 -21.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.394 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.678 ' CE1' HG21 ' A' ' 188' ' ' THR . 0.0 OUTLIER -65.13 -13.04 57.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.642 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -69.12 -16.84 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.85 8.2 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.809 HG13 HD13 ' A' ' 184' ' ' ILE . 2.4 t -123.23 -43.59 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 177' ' ' HIS . 8.1 t-20 -54.84 -19.07 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.576 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.4 mp -75.68 -14.66 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.23 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.406 ' C ' HD12 ' A' ' 184' ' ' ILE . 65.6 m -114.71 -25.23 8.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.809 HD13 HG13 ' A' ' 180' ' ' VAL . 1.9 mp -99.9 -38.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 55.62 39.41 30.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 187' ' ' HIS . 34.3 mt-30 -155.33 -43.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.426 ' CD2' HG11 ' A' ' 180' ' ' VAL . 0.1 OUTLIER -37.26 154.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.563 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.678 HG21 ' CE1' ' A' ' 177' ' ' HIS . 0.5 OUTLIER 77.85 -53.12 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.353 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.494 ' N ' HG22 ' A' ' 188' ' ' THR . 38.0 t -69.72 -13.94 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.2 p -45.75 -31.61 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 36.5 p -139.95 -73.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -175.87 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.2 t -168.94 -49.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.449 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 193' ' ' THR . 0.1 OUTLIER 51.08 -164.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.45 1.094 . . . . 0.0 110.957 179.961 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.603 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.1 m120 -62.34 -57.36 11.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.47 -46.61 89.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 t -54.32 -19.93 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER -67.63 -11.22 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.88 -16.37 63.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.93 8.36 3.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.239 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.474 HG13 HD13 ' A' ' 184' ' ' ILE . 2.3 t -123.55 -44.58 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.529 ' HB2' ' CG ' ' A' ' 177' ' ' HIS . 56.0 t30 -54.36 -18.99 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.175 . . . . 0.0 109.239 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.3 mp -73.2 -17.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.55 ' C ' HD12 ' A' ' 184' ' ' ILE . 3.0 m -115.4 -20.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 183' ' ' THR . 1.4 mp -100.13 -38.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER 50.18 43.66 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 187' ' ' HIS . 4.2 mt-30 -155.32 -44.26 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 188' ' ' THR . 9.0 m-70 -38.75 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 189' ' ' VAL . 0.5 OUTLIER 76.31 -52.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.468 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.579 ' O ' HG22 ' A' ' 193' ' ' THR . 75.7 t -67.68 -33.62 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.2 t -71.27 -43.65 66.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 52.0 m -45.85 -40.3 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 36.4 p -77.41 -73.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 189' ' ' VAL . 14.9 t -65.68 -155.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 193' ' ' THR . 0.1 OUTLIER 163.18 117.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.063 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.582 ' O ' ' CD2' ' A' ' 177' ' ' HIS . 1.5 m120 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 173' ' ' ASN . 0.5 OUTLIER -38.99 -35.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.52 -63.08 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.58 -20.66 26.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 173' ' ' ASN . 14.4 m170 -79.17 1.86 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -75.36 -63.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.25 -26.18 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 177' ' ' HIS . 0.4 OUTLIER -89.53 -32.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 177' ' ' HIS . 3.7 t-20 -52.64 -38.63 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 182' ' ' ILE . 2.5 mp -62.4 -14.44 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.7 m -103.54 -38.5 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 184' ' ' ILE . 0.8 OUTLIER -76.59 -42.49 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.3 OUTLIER 82.15 20.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.456 ' HG2' ' CG2' ' A' ' 184' ' ' ILE . 0.6 OUTLIER -155.1 -43.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 177' ' ' HIS . 0.1 OUTLIER -39.03 152.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.606 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 189' ' ' VAL . 0.5 OUTLIER 79.2 -52.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.544 1.152 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.489 ' N ' HG22 ' A' ' 188' ' ' THR . 94.0 t -64.04 -26.96 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.5 p -39.61 -45.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 90.6 m -66.62 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 2.9 m -158.28 -66.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.495 ' O ' ' CD ' ' A' ' 194' ' ' LYS . 1.1 t -175.69 160.12 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 193' ' ' THR . 0.3 OUTLIER 174.75 67.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.96 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 177' ' ' HIS . 2.0 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.695 ' OD1' HG23 ' A' ' 188' ' ' THR . 17.3 t-20 73.39 -57.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 178' ' ' ASN . 2.7 m-85 -72.11 -85.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.21 -46.05 95.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 173' ' ' ASN . 6.2 m-70 -53.78 -20.24 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.924 ' O ' HD12 ' A' ' 182' ' ' ILE . 41.5 t30 -46.8 -46.58 20.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . 0.483 ' HA ' HD13 ' A' ' 182' ' ' ILE . 41.6 t -46.84 -34.69 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.292 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 177' ' ' HIS . 93.4 t -86.29 -30.15 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 178' ' ' ASN . 24.6 t30 -59.12 -45.58 90.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.924 HD12 ' O ' ' A' ' 178' ' ' ASN . 2.4 mp -39.14 -45.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 7.7 m -60.05 -67.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.357 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 185' ' ' LYS . 9.4 mt -51.06 -47.16 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 184' ' ' ILE . 0.2 OUTLIER 84.46 31.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.56 ' OE1' HG11 ' A' ' 189' ' ' VAL . 1.4 tt0 -155.09 -87.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 110.332 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 1.036 ' O ' HG23 ' A' ' 190' ' ' THR . 0.4 OUTLIER 32.42 -105.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.707 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.695 HG23 ' OD1' ' A' ' 174' ' ' ASN . 2.7 m -33.05 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . 0.56 HG11 ' OE1' ' A' ' 186' ' ' GLN . 1.2 t -39.53 -29.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 1.036 HG23 ' O ' ' A' ' 187' ' ' HIS . 35.1 p -34.65 -64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . . . . . . . . . 3.3 p -132.07 -90.89 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 1.4 m -163.6 -61.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 194' ' ' LYS . 1.3 m -139.97 165.74 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 193' ' ' THR . 1.3 mttm 69.96 170.89 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.362 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 stop_ save_