data_1vdj_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 1vdj _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 ' 141' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 154' ' ' LEU . 6.6 tptt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -156.16 -171.23 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.741 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -37.53 109.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -131.48 110.08 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.428 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -151.96 150.99 30.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 147' ' ' ASP . 6.8 tp10 -123.81 9.39 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.529 ' O ' ' CG2' ' A' ' 148' ' ' THR . 0.9 OUTLIER 55.38 168.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.607 ' CG2' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 83.39 36.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 148' ' ' THR . 5.2 mm-40 72.5 50.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 0.1 OUTLIER -163.39 88.63 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mp0 -125.07 147.47 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 11.2 mttm -131.26 110.53 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -90.85 119.61 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.601 HD21 ' CD1' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -61.88 -172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.482 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 0.8 OUTLIER -68.56 -34.24 75.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -53.86 -51.69 62.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.626 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER 33.26 -94.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.626 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 31.54 -96.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.7 m-20 -82.71 -56.98 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.741 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.06 -54.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.0 OUTLIER -60.34 -68.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.11 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 25.6 m-80 -64.78 -75.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.648 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.4 pp -53.42 -58.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tm-20 -33.02 -53.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 10.6 tp10 -73.06 -63.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 166' ' ' GLU . 7.8 mttp -39.24 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 29.2 t -39.57 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 75.91 -83.92 0.92 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 8.4 mtp -52.58 -55.85 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.84 -32.04 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.465 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -65.65 -37.98 94.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -40.13 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -59.51 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -59.81 -39.07 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.427 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 ttt -65.9 -24.34 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.6 m-85 -96.26 -80.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 177' ' ' PHE . 4.1 pt-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 142' ' ' GLN . 4.7 ptmt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.505 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 1.2 mm-40 53.69 110.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.635 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.8 OUTLIER 52.68 106.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.497 ' CE ' ' HB3' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -137.2 116.98 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -150.3 179.3 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -132.35 7.32 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.402 ' O ' ' HD3' ' A' ' 150' ' ' LYS . 19.6 m-20 59.6 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.502 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 13.5 m 74.23 69.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 51.13 73.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 148' ' ' THR . 2.0 ptmt 172.93 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.502 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.9 mp0 -130.63 148.2 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.497 ' HB3' ' CE ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -132.47 112.23 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.531 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -106.67 126.47 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.681 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.7 -85.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 167.21 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t70 71.13 3.2 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.617 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER -32.58 -89.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.617 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 25.18 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 157' ' ' VAL . 17.2 m-20 -83.65 -56.06 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.678 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.38 -53.08 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.557 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.1 OUTLIER -66.03 -69.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.57 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.4 m-20 -62.58 -73.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.678 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -55.99 -56.82 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 tm-20 -34.58 -51.8 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 8.3 tp10 -75.19 -68.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -72.59 68.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 66.4 m -168.6 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.14 -83.49 0.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.8 mtt -38.1 -68.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.77 -39.32 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.47 -60.09 9.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -45.26 87.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -57.86 -29.91 65.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -79.83 -31.94 40.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.456 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.6 ttp -63.28 -57.37 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.63 -34.27 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.2 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.462 ' CE ' ' HB2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.56 ' CA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -172.09 28.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.71 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.6 OUTLIER 166.89 116.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.528 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -143.17 146.6 33.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -173.33 167.04 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -134.83 8.98 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 148' ' ' THR . 9.7 m-20 56.79 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 2.5 m 82.57 40.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.92 58.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.37 82.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -115.15 117.13 29.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.528 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -88.95 111.55 22.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.56 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -92.82 119.4 32.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.603 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -65.03 175.52 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 156' ' ' ASP . 3.6 ttt-85 -48.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' A' ' 155' ' ' ARG . 37.6 t0 -28.7 -88.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.659 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t 72.1 -72.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.659 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 29.03 -103.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 160' ' ' TRP . 36.4 m-20 -80.81 -58.18 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.71 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -33.99 -40.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.539 ' HB2' ' CG1' ' A' ' 157' ' ' VAL . 1.3 ttt180 -71.24 -65.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -30.04 -41.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -67.56 -75.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.622 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -51.7 -59.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.493 ' CG ' ' CD ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -36.98 -50.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.23 -75.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -42.23 -48.66 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.1 p -46.0 111.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.41 -67.87 0.22 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 12.9 ptm -59.86 -30.91 69.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.73 -57.26 12.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.82 -52.45 33.51 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -44.58 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 176' ' ' MET . 31.5 mttm -76.78 -52.48 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -28.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 177' ' ' PHE . 4.4 ttt -95.14 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.38 -45.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.65 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.484 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 55.33 -169.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.733 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -33.53 104.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.484 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -131.44 119.03 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 1.4 pttp -145.1 163.52 34.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.7 tt0 -114.35 -25.94 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 5.7 m-20 155.42 -171.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 147' ' ' ASP . 12.8 t -31.82 132.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 151' ' ' GLU . 33.0 mt-10 70.23 -56.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.08 79.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 2.4 mt-10 -131.59 105.91 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 2.4 mttt -92.06 111.23 22.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -94.09 121.55 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -66.64 -147.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.69 -28.12 18.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 157' ' ' VAL . 24.1 t70 -67.48 2.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.614 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER -27.71 -91.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.614 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 24.62 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 157' ' ' VAL . 14.1 t70 -82.36 -59.44 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.733 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.92 -53.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.593 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.7 OUTLIER -60.39 -70.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.51 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 161' ' ' ARG . 23.6 m-20 -63.19 -73.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.666 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -55.89 -58.16 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -36.97 -46.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 167' ' ' LYS . 25.3 mt-10 -67.5 -79.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 3.3 ptmm? -38.86 -47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 167' ' ' LYS . 9.8 t -38.91 -67.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.43 -43.53 90.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.0 mtp -55.2 -52.61 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -54.08 -30.7 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -73.01 -43.45 40.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -34.44 77.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -72.41 -43.6 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -75.87 -14.88 60.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 9.2 ttt -79.3 -62.38 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.1 p90 -68.53 -34.33 75.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.428 ' HE3' ' CD ' ' A' ' 144' ' ' LYS . 4.6 ttpt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 63.19 145.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.698 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 4.4 p 36.65 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.54 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 13.2 pttt -118.7 123.94 46.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.2 pttm -174.77 168.47 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 148' ' ' THR . 2.6 mt-10 178.39 37.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER 61.79 -72.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.57 ' N ' ' O ' ' A' ' 146' ' ' GLU . 1.4 t -42.82 -53.61 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.537 ' N ' ' CG2' ' A' ' 148' ' ' THR . 24.7 mm-40 -86.76 -1.5 57.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER 71.06 -157.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.471 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.0 mt-10 -99.81 136.6 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.54 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 39.5 mttt -132.5 106.09 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.502 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -88.35 89.3 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.537 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.0 -153.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.451 ' N ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.02 172.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.3 t70 71.88 4.27 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.619 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER -36.22 -90.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.619 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 27.52 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 157' ' ' VAL . 1.5 m-20 -83.47 -59.13 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.698 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.32 -48.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.575 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 8.3 tmm_? -64.06 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -31.97 -41.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 22.7 m-20 -65.37 -78.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.691 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 0.6 OUTLIER -47.56 -56.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.487 ' CG ' ' HD3' ' A' ' 161' ' ' ARG . 2.2 tp10 -38.89 -49.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.8 -75.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -44.68 -71.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 164' ' ' ILE . 0.4 OUTLIER -67.8 127.36 32.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 134.96 -118.22 1.9 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -38.54 -35.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.784 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.59 -69.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -42.74 -38.31 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -44.02 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.45 -39.32 72.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -30.15 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 4.5 tpt -64.23 -60.3 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -71.59 -34.86 70.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.594 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.669 ' HA ' ' CD1' ' A' ' 154' ' ' LEU . 0.1 OUTLIER 68.48 24.73 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.67 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 1.5 p 165.87 98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -153.98 152.52 30.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.496 ' CD ' ' C ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -179.52 173.27 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.9 OUTLIER -118.96 -73.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER 160.05 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.6 p -68.8 60.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 72.3 3.0 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 2.1 mmtt -84.55 110.7 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.4 ' CD ' ' CB ' ' A' ' 168' ' ' SER . 1.5 mt-10 -137.33 97.24 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -91.89 101.08 13.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.509 ' OD2' ' CG2' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.34 157.06 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.669 ' CD1' ' HA ' ' A' ' 142' ' ' GLN . 6.7 tt -122.15 159.28 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -30.69 -60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 158' ' ' GLY . 13.6 t70 -39.4 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.659 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 0.9 OUTLIER 58.05 -78.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.659 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 27.69 -101.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -79.29 -53.66 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.716 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.4 OUTLIER -37.98 -58.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 107.996 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.616 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.2 OUTLIER -59.41 -73.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.08 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -57.01 -72.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.716 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.4 pp -60.76 -54.44 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.8 tp10 -28.14 -54.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.28 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.53 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER 177.14 -75.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -99.84 -47.74 1.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 33.4 mtt -54.66 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -35.16 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.27 -49.53 56.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -54.16 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.84 -41.17 95.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.418 ' HE3' ' N ' ' A' ' 176' ' ' MET . 4.2 ttpt -48.57 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.418 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 4.1 ttt -58.76 -47.23 85.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.9 m-85 -53.98 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' PHE . 9.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.515 ' CE ' ' CB ' ' A' ' 154' ' ' LEU . 3.9 ttpm? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.539 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 59.34 136.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.669 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 3.1 p 29.03 95.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.476 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 5.8 pttt -109.95 82.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.517 ' HD3' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -123.34 159.41 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.49 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 3.4 tt0 -121.35 -0.66 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 148' ' ' THR . 0.1 OUTLIER 69.26 177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 82.97 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 148' ' ' THR . 0.5 OUTLIER 162.51 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.49 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -153.43 114.06 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mt-10 -141.82 95.03 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.476 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 11.7 mttm -85.12 121.39 27.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.495 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -90.27 115.44 27.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.563 ' H ' ' CD1' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.67 176.54 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.495 ' N ' HD22 ' A' ' 154' ' ' LEU . 11.2 tpt85 -32.15 -70.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.552 ' O ' ' HD1' ' A' ' 160' ' ' TRP . 17.6 t70 -57.01 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.625 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t -120.87 -68.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.625 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 33.01 -118.59 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -70.56 -56.21 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.669 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -31.12 -50.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.5 OUTLIER -64.54 -67.32 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -27.63 -43.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.7 m-80 -64.9 -75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -51.87 -54.45 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.0 tp10 -37.24 -51.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 162' ' ' LYS . 1.2 mm-40 -65.88 -77.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.502 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 10.5 ptmt -39.65 -59.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 164' ' ' ILE . 43.3 t -48.07 161.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 73.52 -89.32 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -40.41 -34.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -61.35 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.72 -43.64 91.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -53.31 2.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 176' ' ' MET . 5.0 mttt -73.64 -48.08 35.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.472 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.5 -28.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.504 ' O ' ' C ' ' A' ' 177' ' ' PHE . 43.5 tpp -98.86 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -29.27 -47.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.648 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 5.0 mt-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.487 ' CD ' ' HD3' ' A' ' 144' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.676 ' CA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -170.73 28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.622 HG22 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 168.18 125.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.53 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -165.65 160.97 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 175.56 149.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -116.43 -2.31 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 2.1 m-20 70.4 157.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.464 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 2.8 m 64.67 81.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 150' ' ' LYS . 5.2 mm-40 48.39 69.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 1.4 ptmt 169.87 85.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 1.1 mt-10 -126.87 114.96 18.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.53 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 2.6 mmtt -87.05 110.54 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.527 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.3 OUTLIER -116.44 115.34 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.676 ' HG ' ' CA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -74.37 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.594 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -35.07 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.32 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.607 ' N ' HD23 ' A' ' 154' ' ' LEU . 32.4 t0 -22.48 -78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.656 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.1 t 61.43 -73.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.656 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 28.49 -102.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.5 m-20 -79.52 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.674 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -31.85 -50.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.026 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.592 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.1 OUTLIER -65.55 -70.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.77 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.7 m-20 -61.06 -72.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.674 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -57.99 -54.22 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.3 tp10 -31.91 -54.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.61 -68.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -72.37 97.32 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 169' ' ' GLY . 78.9 p -178.74 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -80.85 -86.69 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.9 mtm -40.3 -70.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 9.4 tp10 -48.78 -23.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 169' ' ' GLY . . . -74.28 -46.91 19.02 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -34.55 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.489 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.5 mttm -73.81 -43.33 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.415 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.415 ' N ' ' HE2' ' A' ' 175' ' ' LYS . 5.0 ttt -79.05 -61.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -69.46 -33.39 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.627 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.4 OUTLIER 76.96 170.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.699 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -20.17 123.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.503 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -140.78 115.48 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.573 ' N ' ' CD ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.73 -169.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -140.14 12.31 2.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.53 146.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' LYS . 1.1 m 65.66 102.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 151' ' ' GLU . 4.9 mm-40 66.26 -68.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -53.29 86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 145' ' ' LYS . 2.3 mp0 -132.01 113.21 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 144' ' ' LYS . 12.1 mmtt -124.03 110.77 15.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.552 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -102.14 123.79 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -95.17 -115.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.473 ' N ' ' CD2' ' A' ' 154' ' ' LEU . 3.0 ptm85 -98.07 166.15 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 157' ' ' VAL . 3.6 t70 76.89 1.08 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.622 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER -34.87 -87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 26.11 -90.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 157' ' ' VAL . 5.3 m-20 -84.44 -55.12 4.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.718 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.78 -55.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.601 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -64.21 -69.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.9 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' ARG . 33.2 m-80 -62.75 -77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.718 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -49.16 -54.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 tm-20 -34.76 -52.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.86 -22.04 26.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 164' ' ' ILE . 6.8 tptt -67.47 -79.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 135.11 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 120.24 -82.99 0.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 171' ' ' GLU . 3.4 ptt? -49.7 -36.23 24.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 170' ' ' MET . 5.1 tp10 -63.6 -70.65 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -41.76 -36.92 1.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.0 -60.89 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -54.17 -32.04 54.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 5.5 ttpt -60.32 -69.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.3 ttp -55.32 -27.6 48.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 111.071 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.51 -84.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' GLN . 1.4 tptm . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.549 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 5.1 pt20 -30.55 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.765 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 40.35 90.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.488 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.72 107.4 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.454 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.97 151.58 38.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -1.09 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.77 154.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.4 m 75.28 68.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 51.13 70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 2.0 mp0 -135.87 150.43 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.488 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -136.2 114.15 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.534 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.07 111.7 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.597 ' CD1' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -58.49 -157.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.563 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 36.3 ptt180 -79.38 -34.36 42.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.528 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -48.41 -55.66 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.644 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 31.43 -96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' HG21 ' A' ' 157' ' ' VAL . . . 33.33 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -82.93 -59.38 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.765 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.89 -51.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.025 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.644 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 1.3 ttt180 -61.88 -69.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.79 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 34.7 m-20 -65.73 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.673 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.2 pp -54.83 -60.14 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.513 ' CB ' ' HD3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.1 -46.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 5.4 tp10 -70.91 -80.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.23 -37.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 164' ' ' ILE . 47.7 m -65.21 143.01 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.29 -82.63 1.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 11.1 mtp -47.86 -63.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.26 -44.47 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 175' ' ' LYS . . . -59.16 -71.96 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.14 -31.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 18.6 mmtt -68.97 -44.59 72.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -77.62 -7.5 56.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.5 ttp -84.75 -54.0 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 2.4 p90 -76.69 -37.43 56.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.488 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 9.5 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.625 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 3.9 tptm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 141' ' ' LYS . 2.6 pp0? 36.63 30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.711 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 2.2 p 161.65 111.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.66 113.3 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 15.3 pttm -161.35 177.16 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 5.5 tt0 -137.08 -71.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.6 m-20 155.93 177.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.98 -58.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.87 73.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.419 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -175.55 97.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.463 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.7 OUTLIER -132.94 83.14 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.9 116.8 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -95.03 149.26 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 141' ' ' LYS . 2.7 tp -71.18 -134.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 156' ' ' ASP . 8.2 ptt180 -108.46 -40.84 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLY . 39.4 t0 -57.65 -48.4 79.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.662 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER 35.47 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.662 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 30.34 -96.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -81.32 -51.56 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.711 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.4 OUTLIER -42.5 -60.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.638 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 1.5 ttm180 -57.1 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.49 -51.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.9 m-20 -58.57 -72.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.681 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -57.95 -54.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -29.09 -55.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.542 ' CG ' ' N ' ' A' ' 167' ' ' LYS . 4.2 pt-20 -80.17 -48.86 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' A' ' 166' ' ' GLU . 8.1 mttt -49.06 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.55 110.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 138.02 -94.03 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.3 ptp -59.11 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 1.0 OUTLIER -73.88 -31.25 63.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 176' ' ' MET . . . -77.56 -38.67 27.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -73.87 -37.75 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -72.89 -39.07 66.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 171' ' ' GLU . 0.6 OUTLIER -77.74 -21.86 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.474 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 2.7 tpp -74.02 -60.93 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -68.92 -32.85 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.6 tttm . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.515 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -160.66 119.19 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.721 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 1.2 p 39.67 89.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 5.0 ptmt -116.16 104.73 11.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.3 OUTLIER -152.69 160.58 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.415 ' CB ' ' HD2' ' A' ' 150' ' ' LYS . 0.6 OUTLIER -132.52 6.09 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 148' ' ' THR . 8.9 m-20 64.18 -177.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER 77.55 -53.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 178.33 52.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 146' ' ' GLU . 1.6 ptpt -165.16 108.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.462 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.8 mp0 -139.98 88.48 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 20.1 mttt -87.36 109.07 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.596 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.661 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.17 179.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 157' ' ' VAL . 1.1 tpp180 -57.3 -64.87 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' HD12 ' A' ' 154' ' ' LEU . 4.4 t0 -60.76 61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 155' ' ' ARG . 0.5 OUTLIER -83.52 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 22.86 -102.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.595 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -72.64 -67.47 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.763 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.721 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -25.72 -48.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 162' ' ' LYS . 1.6 ttt180 -63.79 -72.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -23.55 -49.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.4 m-20 -58.62 -73.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.643 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -58.66 -54.98 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.4 tt0 -28.93 -55.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 170' ' ' MET . 1.3 tp10 -70.33 -59.48 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -90.3 66.78 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 17.0 p -147.28 -57.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -97.55 -78.47 1.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 166' ' ' GLU . 17.7 ptm -37.37 -39.58 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.61 -68.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -39.19 -40.41 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.81 -70.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -43.04 -32.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 7.9 ttpt -63.13 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 10.0 ptp -55.53 -17.3 5.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -82.69 -83.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.518 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.66 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.4 OUTLIER 77.44 164.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.755 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -16.75 121.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.518 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -142.71 148.21 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 150' ' ' LYS . 5.8 pttp 176.13 -176.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.407 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 0.9 OUTLIER -125.42 0.91 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 148' ' ' THR . 0.2 OUTLIER 62.53 -163.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 1.3 m 67.77 -58.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 147' ' ' ASP . 4.3 pt-20 179.61 50.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -163.46 110.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.463 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.7 mp0 -112.13 158.49 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.491 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -145.83 113.93 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.545 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.17 138.44 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -99.81 -170.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -23.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.6 t70 -69.51 -1.86 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.605 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER -32.83 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 31.02 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 157' ' ' VAL . 62.0 m-20 -85.02 -54.32 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.755 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.47 -51.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.0 OUTLIER -64.02 -69.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.79 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 161' ' ' ARG . 9.4 m-20 -66.9 -74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.637 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.3 pp -54.72 -60.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.6 tp10 -36.33 -51.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 2.0 tp10 -61.14 -55.24 34.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -157.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.2 m 72.29 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.94 -79.68 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.95 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -46.7 -43.14 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.12 -35.06 86.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 176' ' ' MET . 1.3 tpm_? -76.32 -65.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.33 -36.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.448 ' CE ' ' HA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -78.06 -42.85 30.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 173' ' ' ARG . 11.7 tpt -50.01 -59.37 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 174' ' ' LYS . 0.9 OUTLIER -72.31 -39.13 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 16.4 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 15.3 tptm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.566 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -174.86 34.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -172.13 112.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.519 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 9.4 pttt -155.57 139.09 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 177.47 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.4 OUTLIER -115.95 -54.84 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.4 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' A' ' 149' ' ' GLU . 6.6 t -129.7 135.0 47.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 148' ' ' THR . 2.9 tt0 71.82 -48.32 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -73.99 56.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -103.5 125.01 49.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.519 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -107.81 101.45 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.569 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.23 125.2 48.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' A' ' 142' ' ' GLN . 6.6 mp -91.42 -169.0 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.88 -46.47 90.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -69.55 48.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.639 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t -76.3 -69.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.639 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 26.94 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 160' ' ' TRP . 94.7 m-20 -80.51 -61.12 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.619 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.3 OUTLIER -29.95 -46.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.612 ' HB2' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -70.27 -69.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.2 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.2 m-20 -64.93 -72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.619 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -56.64 -57.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 161' ' ' ARG . 19.3 tp10 -34.11 -51.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -68.62 -78.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.26 -31.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 164' ' ' ILE . 48.5 t -66.78 134.03 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.35 -63.75 1.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.63 -32.18 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.15 -42.62 59.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.49 84.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -53.97 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 0.807 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -56.08 -30.3 61.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -38.76 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.6 -52.65 59.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -81.6 -35.34 30.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.596 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 61.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 16.4 ttpt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 60.92 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.698 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 6.4 p 30.32 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 9.2 pttt -102.21 75.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.717 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -106.59 143.38 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.5 OUTLIER -117.44 36.83 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 10.8 m-20 62.8 -173.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER 44.82 48.09 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 148' ' ' THR . 9.9 pt-20 49.95 48.31 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 148' ' ' THR . 4.4 mttp -115.62 37.25 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.717 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -77.92 120.93 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 2.0 mttt -108.74 107.43 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -67.43 139.12 57.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.614 HD23 ' CD1' ' A' ' 160' ' ' TRP . 1.1 pt? -84.17 -129.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.465 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.78 -36.14 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 158' ' ' GLY . 27.2 t0 -55.03 -49.14 72.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.615 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.37 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.612 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 32.52 -97.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 160' ' ' TRP . 6.6 t70 -82.22 -56.54 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.698 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.18 -55.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.615 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.81 -70.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 161' ' ' ARG . 10.4 m-20 -61.52 -76.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.642 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -52.8 -56.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.4 tt0 -32.41 -52.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.93 -74.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -69.82 107.89 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 167' ' ' LYS . 1.7 m 154.36 -74.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -47.09 -69.74 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -23.31 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.04 -54.28 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -65.42 -29.18 74.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -71.8 -55.12 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -63.68 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.459 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.95 -25.13 40.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 11.1 tpt -70.12 -56.04 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.0 OUTLIER -75.09 -34.38 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HD2' ' CE ' ' A' ' 144' ' ' LYS . 1.6 tptm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.611 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER 177.84 33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.636 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 164.32 85.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -146.73 173.87 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.525 ' HB3' ' CB ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -178.9 168.24 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.5 -0.18 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 148' ' ' THR . 4.7 m-20 67.16 160.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 1.8 m 81.38 49.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.09 53.93 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -168.8 111.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.525 ' CB ' ' HB3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -148.87 129.5 14.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 109.23 18.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -120.76 133.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.685 HD21 ' N ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -110.85 179.88 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.685 ' N ' HD21 ' A' ' 154' ' ' LEU . 43.0 tpt85 -26.23 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 154' ' ' LEU . 52.0 t0 -40.88 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.693 HG22 ' N ' ' A' ' 158' ' ' GLY . 0.9 OUTLIER 33.0 -101.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.693 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 35.91 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -83.13 -58.26 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.679 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -37.2 -50.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -61.37 -68.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.39 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.8 m-20 -65.43 -74.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.679 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.3 pp -58.66 -57.61 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.0 tt0 -34.18 -53.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 167' ' ' LYS . 13.1 tt0 -79.57 -78.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -30.16 -45.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 10.4 t -67.19 131.14 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.56 -78.79 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -36.49 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.65 -56.27 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -67.38 -44.85 83.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -57.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.777 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.473 ' C ' ' N ' ' A' ' 176' ' ' MET . 6.9 pttt -67.66 -51.59 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -39.19 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.473 ' N ' ' C ' ' A' ' 174' ' ' LYS . 27.0 tpp -88.75 -61.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.98 -46.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.52 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER 65.67 -173.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -32.66 99.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -124.75 126.59 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.652 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 165.13 -163.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 8.2 tp10 -121.33 -80.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 156.24 -173.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 74.14 -57.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.27 60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.16 102.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.652 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 pm0 -133.29 137.43 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -119.75 107.83 13.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.535 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -89.31 140.87 29.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.594 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -98.28 -172.98 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.539 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -50.74 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -30.87 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.643 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.1 t 64.83 -69.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.643 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 27.89 -103.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.581 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -76.4 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.644 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.3 OUTLIER -28.84 -48.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.039 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.601 ' HB2' ' CG1' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -65.21 -70.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -25.99 -46.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 161' ' ' ARG . 43.9 m-20 -60.9 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.644 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -57.01 -54.15 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.7 tp10 -30.95 -54.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 167' ' ' LYS . 5.9 mm-40 -81.49 -56.93 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -37.54 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 p -59.63 151.37 24.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 110.43 -105.9 2.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.42 -23.49 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.82 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.54 -26.69 46.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -72.06 -54.94 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 14.2 pttt -60.68 -28.64 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.1 OUTLIER -82.61 -27.46 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.17 -50.23 61.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -82.42 -34.36 28.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -28.59 106.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.71 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 2.0 p 41.54 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.507 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 1.3 pttt -120.94 83.8 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -122.4 162.01 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.5 9.43 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 148' ' ' THR . 60.1 m-20 60.59 153.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 26.2 m 72.14 75.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 48.83 73.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.26 91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.24 99.79 3.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.507 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -89.39 113.8 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.521 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -97.04 115.51 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.76 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 157' ' ' VAL . 8.5 tpt180 -68.47 -42.79 78.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.651 ' N ' HD13 ' A' ' 154' ' ' LEU . 7.7 t0 -68.96 51.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.682 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -72.91 -82.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.63 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 34.93 -100.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 58.5 m-20 -80.58 -51.37 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.71 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.6 OUTLIER -38.15 -61.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.682 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.26 -67.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.585 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.63 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.7 m-20 -61.74 -76.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.665 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -51.99 -55.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.7 tm-20 -31.9 -54.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -69.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -68.52 -151.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 172' ' ' GLY . 0.5 OUTLIER 65.64 -80.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -51.71 -72.12 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.7 mtp -42.52 -63.62 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.66 -29.53 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.467 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -68.76 -39.39 85.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -35.44 66.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 3.6 mmtt -72.28 -39.39 68.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.489 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.7 OUTLIER -79.76 -20.49 46.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.489 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 tpt -73.44 -56.77 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -75.17 -32.57 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.588 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 8.6 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 142' ' ' GLN . 9.8 tptm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.571 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . 4.6 pt20 -30.58 136.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.768 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 1.8 p 40.8 91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 15.9 ptmt -133.38 116.51 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -118.75 125.63 50.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.505 ' HB2' ' CB ' ' A' ' 150' ' ' LYS . 4.3 mt-10 -116.75 25.18 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 150' ' ' LYS . 0.2 OUTLIER 58.08 -164.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.471 HG23 ' CD ' ' A' ' 150' ' ' LYS . 5.0 t 43.33 29.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 148' ' ' THR . 1.4 mt-10 74.22 40.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -99.5 52.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 145' ' ' LYS . 1.9 mt-10 -85.02 102.29 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -110.49 112.68 24.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.556 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -102.43 130.87 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.571 ' HB3' ' HA ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER -72.27 -151.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.578 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 4.0 ptt180 -87.61 -34.38 18.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 158' ' ' GLY . 6.6 t70 -51.9 -49.37 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.642 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.1 -94.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.625 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 37.43 -95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 157' ' ' VAL . 28.3 m-20 -85.88 -53.6 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.775 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.61 -57.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.642 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -63.54 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -23.22 -49.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 22.4 m-20 -62.99 -74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.775 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.9 pp -53.18 -56.15 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.5 tp10 -34.78 -51.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.77 -75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -51.75 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.412 ' C ' ' OE1' ' A' ' 151' ' ' GLU . 37.2 m -38.22 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 107.94 -82.58 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -31.18 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 4.0 tt0 -73.09 -43.27 62.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.468 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -61.94 -37.55 94.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -42.87 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -58.82 -55.98 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -60.94 -38.4 85.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.442 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 6.7 ttt -67.83 -21.8 65.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.78 -80.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.553 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 3.6 pt20 -30.68 145.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.636 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER 42.91 93.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 5.7 ptmt -146.76 119.49 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.48 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -149.57 160.05 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -13.29 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 1.0 OUTLIER 173.45 -173.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -40.25 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 148' ' ' THR . 1.6 mm-40 -45.34 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.46 88.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.4 tt0 -137.59 104.42 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -93.89 108.73 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.569 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -101.36 110.16 22.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.644 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.2 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.48 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 6.8 ttt180 -75.44 -45.33 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.561 ' N ' HD11 ' A' ' 154' ' ' LEU . 1.4 t70 -67.9 53.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . 0.684 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -79.3 -74.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.625 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 31.1 -101.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.0 m-20 -79.91 -45.77 17.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.697 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -41.8 -59.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.684 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -61.01 -68.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.96 -45.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.2 m-20 -62.97 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.697 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -57.21 -58.1 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.544 ' HB2' ' CD ' ' A' ' 161' ' ' ARG . 4.3 tp10 -32.33 -53.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.32 -71.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 65.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.0 t -153.44 -54.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -71.98 -78.89 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 9.8 mtt -52.04 -58.93 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 175' ' ' LYS . 1.4 tp10 -53.02 -34.91 58.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.84 77.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -63.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.43 -42.76 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . 0.428 ' CE ' ' N ' ' A' ' 176' ' ' MET . 1.7 ttpt -56.93 -56.29 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' MET . . . . . 0.428 ' N ' ' CE ' ' A' ' 175' ' ' LYS . 12.0 ttt -62.11 -17.17 56.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.08 -83.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 133' ' ' ASN . 73.1 t -54.08 -44.14 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -38.75 -58.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -50.18 68.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -42.07 -43.57 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.08 -49.13 47.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -49.02 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -56.01 -44.95 79.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -39.44 -60.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -79.67 -73.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 154' ' ' LEU . 6.6 tptt -46.42 93.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -156.16 -171.23 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.741 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -37.53 109.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -131.48 110.08 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.428 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -151.96 150.99 30.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 147' ' ' ASP . 6.8 tp10 -123.81 9.39 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.529 ' O ' ' CG2' ' A' ' 148' ' ' THR . 0.9 OUTLIER 55.38 168.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.607 ' CG2' ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 83.39 36.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 148' ' ' THR . 5.2 mm-40 72.5 50.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 0.1 OUTLIER -163.39 88.63 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mp0 -125.07 147.47 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 11.2 mttm -131.26 110.53 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -90.85 119.61 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.601 HD21 ' CD1' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -61.88 -172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.482 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 0.8 OUTLIER -68.56 -34.24 75.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -53.86 -51.69 62.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.626 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER 33.26 -94.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.626 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 31.54 -96.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.7 m-20 -82.71 -56.98 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.741 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.06 -54.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.576 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.0 OUTLIER -60.34 -68.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.11 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 25.6 m-80 -64.78 -75.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.648 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.4 pp -53.42 -58.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tm-20 -33.02 -53.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 10.6 tp10 -73.06 -63.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 166' ' ' GLU . 7.8 mttp -39.24 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 29.2 t -39.57 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 75.91 -83.92 0.92 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 8.4 mtp -52.58 -55.85 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.84 -32.04 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.465 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -65.65 -37.98 94.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -40.13 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -59.51 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -59.81 -39.07 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.427 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 ttt -65.9 -24.34 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.6 m-85 -96.26 -80.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 177' ' ' PHE . 4.1 pt-20 36.02 47.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -40.7 105.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 140.34 127.86 2.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.1 144.0 28.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.366 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' CG ' ' HG2' ' A' ' 134' ' ' MET . 1.5 tttp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 71.6 t -57.57 -30.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.576 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -53.19 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 135' ' ' ASP . 1.4 ptt? -67.09 -19.74 65.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 134' ' ' MET . 42.5 t0 -64.87 -65.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.95 -50.24 74.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -46.26 -63.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 154' ' ' LEU . . . -49.43 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -43.08 -26.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -83.71 -87.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 140' ' ' LEU . 4.7 ptmt -34.85 -59.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.505 ' C ' ' CG1' ' A' ' 143' ' ' VAL . 1.2 mm-40 53.69 110.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.635 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.8 OUTLIER 52.68 106.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.497 ' CE ' ' HB3' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -137.2 116.98 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -150.3 179.3 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -132.35 7.32 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.402 ' O ' ' HD3' ' A' ' 150' ' ' LYS . 19.6 m-20 59.6 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.502 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 13.5 m 74.23 69.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 51.13 73.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 148' ' ' THR . 2.0 ptmt 172.93 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.502 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.9 mp0 -130.63 148.2 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.497 ' HB3' ' CE ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -132.47 112.23 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.531 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -106.67 126.47 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.681 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.7 -85.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 167.21 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t70 71.13 3.2 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.617 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER -32.58 -89.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.617 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 25.18 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 157' ' ' VAL . 17.2 m-20 -83.65 -56.06 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.678 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.38 -53.08 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.557 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.1 OUTLIER -66.03 -69.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.57 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.4 m-20 -62.58 -73.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.678 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -55.99 -56.82 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 tm-20 -34.58 -51.8 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 8.3 tp10 -75.19 -68.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -72.59 68.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 66.4 m -168.6 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.14 -83.49 0.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.8 mtt -38.1 -68.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.77 -39.32 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.47 -60.09 9.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -45.26 87.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -57.86 -29.91 65.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -79.83 -31.94 40.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.456 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.6 ttp -63.28 -57.37 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -73.63 -34.27 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.2 mt-10 35.18 90.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 177' ' ' PHE . . . -144.74 -63.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 75.71 85.41 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.42 84.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' C ' ' N ' ' A' ' 134' ' ' MET . 79.0 t -64.79 -57.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.452 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.75 -29.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.452 ' N ' HD21 ' A' ' 133' ' ' ASN . 0.0 OUTLIER -80.59 -56.03 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -39.37 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.0 tp -74.26 -48.64 27.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -47.39 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -72.64 -48.7 37.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' ALA . 32.2 m-20 -36.39 -50.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.8 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.462 ' CE ' ' HB2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.43 106.92 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.56 ' CA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -172.09 28.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.71 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.6 OUTLIER 166.89 116.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.528 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -143.17 146.6 33.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -173.33 167.04 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -134.83 8.98 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 148' ' ' THR . 9.7 m-20 56.79 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 2.5 m 82.57 40.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.92 58.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.37 82.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -115.15 117.13 29.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.528 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -88.95 111.55 22.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.56 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -92.82 119.4 32.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.603 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -65.03 175.52 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 156' ' ' ASP . 3.6 ttt-85 -48.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' A' ' 155' ' ' ARG . 37.6 t0 -28.7 -88.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.659 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t 72.1 -72.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.659 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 29.03 -103.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 160' ' ' TRP . 36.4 m-20 -80.81 -58.18 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.71 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -33.99 -40.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.539 ' HB2' ' CG1' ' A' ' 157' ' ' VAL . 1.3 ttt180 -71.24 -65.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -30.04 -41.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -67.56 -75.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.622 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -51.7 -59.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.493 ' CG ' ' CD ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -36.98 -50.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.23 -75.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -42.23 -48.66 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.1 p -46.0 111.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.41 -67.87 0.22 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 12.9 ptm -59.86 -30.91 69.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.73 -57.26 12.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.82 -52.45 33.51 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -44.58 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 176' ' ' MET . 31.5 mttm -76.78 -52.48 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -28.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 177' ' ' PHE . 4.4 ttt -95.14 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.38 -45.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.65 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 2.6 mt-10 23.21 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 177' ' ' PHE . . . -146.78 -85.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.08 140.06 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.86 133.18 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 133' ' ' ASN . 14.7 p -49.2 -50.92 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.617 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -38.81 -63.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 1.3 mtt -54.91 -42.22 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -38.09 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -54.75 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -44.05 -56.07 4.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.0 -45.46 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.25 -50.08 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.5 OUTLIER -80.99 -73.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.484 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 14.0 tttt -35.84 -89.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 55.33 -169.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.733 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -33.53 104.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.484 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -131.44 119.03 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 1.4 pttp -145.1 163.52 34.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.7 tt0 -114.35 -25.94 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 5.7 m-20 155.42 -171.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 147' ' ' ASP . 12.8 t -31.82 132.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 151' ' ' GLU . 33.0 mt-10 70.23 -56.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.08 79.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 2.4 mt-10 -131.59 105.91 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 2.4 mttt -92.06 111.23 22.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -94.09 121.55 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.501 HD21 ' CD1' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -66.64 -147.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.69 -28.12 18.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 157' ' ' VAL . 24.1 t70 -67.48 2.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.614 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER -27.71 -91.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.614 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 24.62 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 157' ' ' VAL . 14.1 t70 -82.36 -59.44 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.733 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.92 -53.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.593 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.7 OUTLIER -60.39 -70.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.51 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 161' ' ' ARG . 23.6 m-20 -63.19 -73.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.666 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -55.89 -58.16 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -36.97 -46.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 167' ' ' LYS . 25.3 mt-10 -67.5 -79.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 3.3 ptmm? -38.86 -47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 167' ' ' LYS . 9.8 t -38.91 -67.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.43 -43.53 90.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.0 mtp -55.2 -52.61 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -54.08 -30.7 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -73.01 -43.45 40.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -34.44 77.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -72.41 -43.6 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -75.87 -14.88 60.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 9.2 ttt -79.3 -62.38 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.1 p90 -68.53 -34.33 75.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER 32.05 89.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.578 ' HB1' ' CE2' ' A' ' 177' ' ' PHE . . . -147.01 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 138.14 131.41 2.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.13 84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 52.7 t -64.13 -55.43 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.91 -29.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -82.75 -59.02 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -44.45 -37.91 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' ARG . 9.7 tt -78.16 -55.58 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -38.59 -40.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 154' ' ' LEU . . . -82.58 -49.3 10.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -40.69 -30.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -95.85 -64.01 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 140' ' ' LEU . 4.6 ttpt -35.08 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 63.19 145.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.698 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 4.4 p 36.65 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.54 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 13.2 pttt -118.7 123.94 46.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.2 pttm -174.77 168.47 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 148' ' ' THR . 2.6 mt-10 178.39 37.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER 61.79 -72.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.57 ' N ' ' O ' ' A' ' 146' ' ' GLU . 1.4 t -42.82 -53.61 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.537 ' N ' ' CG2' ' A' ' 148' ' ' THR . 24.7 mm-40 -86.76 -1.5 57.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER 71.06 -157.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.471 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.0 mt-10 -99.81 136.6 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.54 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 39.5 mttt -132.5 106.09 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.502 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -88.35 89.3 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.537 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -64.0 -153.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.451 ' N ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.02 172.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.3 t70 71.88 4.27 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.619 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER -36.22 -90.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.619 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 27.52 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 157' ' ' VAL . 1.5 m-20 -83.47 -59.13 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.698 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.32 -48.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.575 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 8.3 tmm_? -64.06 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -31.97 -41.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 22.7 m-20 -65.37 -78.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.691 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 0.6 OUTLIER -47.56 -56.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.487 ' CG ' ' HD3' ' A' ' 161' ' ' ARG . 2.2 tp10 -38.89 -49.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.8 -75.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -44.68 -71.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 164' ' ' ILE . 0.4 OUTLIER -67.8 127.36 32.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 134.96 -118.22 1.9 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -38.54 -35.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.784 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.59 -69.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -42.74 -38.31 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -44.02 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.468 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.45 -39.32 72.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -30.15 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 4.5 tpt -64.23 -60.3 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -71.59 -34.86 70.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER 42.14 88.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.5 ' HB3' ' CD2' ' A' ' 177' ' ' PHE . . . -171.37 52.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.71 163.7 52.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -95.58 109.49 21.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.026 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 pttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 134' ' ' MET . 71.1 t -66.24 -59.81 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.4 -29.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.464 ' N ' ' C ' ' A' ' 132' ' ' VAL . 3.6 mmt -80.53 -48.44 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 87.9 m-20 -56.42 -37.65 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.62 -57.87 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 141' ' ' LYS . 5.5 mtt180 -47.78 -36.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -61.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 139' ' ' ASN . 26.8 t-20 -41.3 -67.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 mp -52.58 -68.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.594 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -62.43 -163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.669 ' HA ' ' CD1' ' A' ' 154' ' ' LEU . 0.1 OUTLIER 68.48 24.73 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.67 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 1.5 p 165.87 98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -153.98 152.52 30.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.496 ' CD ' ' C ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -179.52 173.27 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.9 OUTLIER -118.96 -73.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER 160.05 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.6 p -68.8 60.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 72.3 3.0 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 2.1 mmtt -84.55 110.7 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.4 ' CD ' ' CB ' ' A' ' 168' ' ' SER . 1.5 mt-10 -137.33 97.24 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -91.89 101.08 13.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.509 ' OD2' ' CG2' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.34 157.06 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.669 ' CD1' ' HA ' ' A' ' 142' ' ' GLN . 6.7 tt -122.15 159.28 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -30.69 -60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 158' ' ' GLY . 13.6 t70 -39.4 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.659 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 0.9 OUTLIER 58.05 -78.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.659 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 27.69 -101.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -79.29 -53.66 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.716 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.4 OUTLIER -37.98 -58.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 107.996 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.616 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.2 OUTLIER -59.41 -73.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.08 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -57.01 -72.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.716 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.4 pp -60.76 -54.44 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.8 tp10 -28.14 -54.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.28 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.53 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER 177.14 -75.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -99.84 -47.74 1.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 33.4 mtt -54.66 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -35.16 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.27 -49.53 56.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -54.16 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.84 -41.17 95.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.418 ' HE3' ' N ' ' A' ' 176' ' ' MET . 4.2 ttpt -48.57 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.418 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 4.1 ttt -58.76 -47.23 85.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.9 m-85 -53.98 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' PHE . 9.3 pt-20 38.26 55.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -40.77 110.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 126.96 -143.3 14.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -174.95 169.25 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.8 t -56.89 -41.45 76.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -39.87 -56.83 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.3 mmt -68.08 -47.21 68.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -44.12 -39.43 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.83 -55.24 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.41 -44.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.446 ' CB ' ' CD2' ' A' ' 154' ' ' LEU . . . -78.17 -47.38 18.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -42.13 -29.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -98.61 -64.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.515 ' CE ' ' CB ' ' A' ' 154' ' ' LEU . 3.9 ttpm? -33.39 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.539 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 59.34 136.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.669 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 3.1 p 29.03 95.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.476 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 5.8 pttt -109.95 82.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.517 ' HD3' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -123.34 159.41 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.49 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 3.4 tt0 -121.35 -0.66 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 148' ' ' THR . 0.1 OUTLIER 69.26 177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 82.97 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 148' ' ' THR . 0.5 OUTLIER 162.51 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.49 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -153.43 114.06 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mt-10 -141.82 95.03 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.476 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 11.7 mttm -85.12 121.39 27.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.495 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -90.27 115.44 27.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.563 ' H ' ' CD1' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.67 176.54 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.495 ' N ' HD22 ' A' ' 154' ' ' LEU . 11.2 tpt85 -32.15 -70.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.552 ' O ' ' HD1' ' A' ' 160' ' ' TRP . 17.6 t70 -57.01 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.625 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t -120.87 -68.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.625 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 33.01 -118.59 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -70.56 -56.21 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.669 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -31.12 -50.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.5 OUTLIER -64.54 -67.32 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -27.63 -43.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.7 m-80 -64.9 -75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.62 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -51.87 -54.45 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.0 tp10 -37.24 -51.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 162' ' ' LYS . 1.2 mm-40 -65.88 -77.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.502 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 10.5 ptmt -39.65 -59.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 164' ' ' ILE . 43.3 t -48.07 161.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 73.52 -89.32 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -40.41 -34.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -61.35 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.72 -43.64 91.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -53.31 2.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 176' ' ' MET . 5.0 mttt -73.64 -48.08 35.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.472 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.5 -28.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.504 ' O ' ' C ' ' A' ' 177' ' ' PHE . 43.5 tpp -98.86 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -29.27 -47.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.648 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 5.0 mt-10 44.49 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -73.0 149.99 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 174.01 120.43 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.79 153.69 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 135' ' ' ASP . 72.7 t -72.07 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -37.46 -44.26 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -45.41 64.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 18.7 t70 -52.65 -48.89 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -41.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.77 -57.23 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -66.84 -48.67 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 138' ' ' ALA . 59.8 m-20 -35.55 -48.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.32 -74.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.487 ' CD ' ' HD3' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -66.34 105.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.676 ' CA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -170.73 28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.622 HG22 ' CZ3' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 168.18 125.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.53 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -165.65 160.97 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 175.56 149.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -116.43 -2.31 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 2.1 m-20 70.4 157.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.464 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 2.8 m 64.67 81.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 150' ' ' LYS . 5.2 mm-40 48.39 69.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 1.4 ptmt 169.87 85.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 1.1 mt-10 -126.87 114.96 18.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.53 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 2.6 mmtt -87.05 110.54 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.527 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.3 OUTLIER -116.44 115.34 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.676 ' HG ' ' CA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -74.37 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.594 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -35.07 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.32 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.607 ' N ' HD23 ' A' ' 154' ' ' LEU . 32.4 t0 -22.48 -78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.656 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.1 t 61.43 -73.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.656 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 28.49 -102.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.5 m-20 -79.52 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.674 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -31.85 -50.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.026 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.592 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.1 OUTLIER -65.55 -70.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.77 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.7 m-20 -61.06 -72.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.674 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -57.99 -54.22 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.3 tp10 -31.91 -54.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.61 -68.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -72.37 97.32 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 169' ' ' GLY . 78.9 p -178.74 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -80.85 -86.69 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.9 mtm -40.3 -70.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 9.4 tp10 -48.78 -23.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 169' ' ' GLY . . . -74.28 -46.91 19.02 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -34.55 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.489 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.5 mttm -73.81 -43.33 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.415 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.415 ' N ' ' HE2' ' A' ' 175' ' ' LYS . 5.0 ttt -79.05 -61.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -69.46 -33.39 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mm-40 35.65 91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.572 ' HB2' ' CD2' ' A' ' 177' ' ' PHE . . . -145.62 -64.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -52.5 135.4 37.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.23 171.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' VAL . 1.8 ttmt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.454 ' O ' ' CG ' ' A' ' 133' ' ' ASN . 2.0 t 40.29 56.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 133' ' ' ASN . 1.3 p-10 44.08 82.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.561 ' O ' ' CG ' ' A' ' 134' ' ' MET . 0.0 OUTLIER 53.0 77.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 134' ' ' MET . 4.7 m-20 31.42 53.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 132' ' ' VAL . 14.6 tp 42.45 66.48 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 8.2 mmt180 56.36 22.0 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . . . 68.0 81.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.507 ' ND2' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER 37.51 41.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER 71.64 87.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER 68.88 -62.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.627 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.4 OUTLIER 76.96 170.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.699 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -20.17 123.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.503 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.1 OUTLIER -140.78 115.48 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.573 ' N ' ' CD ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.73 -169.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -140.14 12.31 2.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.53 146.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' LYS . 1.1 m 65.66 102.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 151' ' ' GLU . 4.9 mm-40 66.26 -68.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -53.29 86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 145' ' ' LYS . 2.3 mp0 -132.01 113.21 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 144' ' ' LYS . 12.1 mmtt -124.03 110.77 15.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.552 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -102.14 123.79 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -95.17 -115.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.498 ' CD ' ' O ' ' A' ' 139' ' ' ASN . 3.0 ptm85 -98.07 166.15 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 157' ' ' VAL . 3.6 t70 76.89 1.08 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.622 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER -34.87 -87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 26.11 -90.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 157' ' ' VAL . 5.3 m-20 -84.44 -55.12 4.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.718 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.78 -55.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.601 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -64.21 -69.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.9 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' ARG . 33.2 m-80 -62.75 -77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.718 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -49.16 -54.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 tm-20 -34.76 -52.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.86 -22.04 26.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 164' ' ' ILE . 6.8 tptt -67.47 -79.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 135.11 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 120.24 -82.99 0.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 171' ' ' GLU . 3.4 ptt? -49.7 -36.23 24.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 170' ' ' MET . 5.1 tp10 -63.6 -70.65 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -41.76 -36.92 1.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.0 -60.89 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -54.17 -32.04 54.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 5.5 ttpt -60.32 -69.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.3 ttp -55.32 -27.6 48.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 111.071 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.51 -84.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 48.15 29.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . 177.78 107.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 134.07 179.7 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.94 138.51 45.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' MET . 39.7 t -64.35 -57.31 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.3 -30.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.449 ' N ' HD21 ' A' ' 133' ' ' ASN . 0.0 OUTLIER -80.37 -61.32 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.42 -37.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' ARG . 1.4 tp -75.96 -52.68 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -38.5 -52.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -72.17 -47.5 50.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -39.84 -32.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.5 OUTLIER -97.51 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' GLN . 1.4 tptm -40.0 -56.43 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.549 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 5.1 pt20 -30.55 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.765 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 40.35 90.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.488 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.72 107.4 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.454 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.97 151.58 38.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -1.09 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.77 154.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.4 m 75.28 68.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 51.13 70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 2.0 mp0 -135.87 150.43 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.488 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -136.2 114.15 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.534 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.07 111.7 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.597 ' CD1' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -58.49 -157.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.563 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 36.3 ptt180 -79.38 -34.36 42.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.528 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -48.41 -55.66 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.644 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 31.43 -96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' HG21 ' A' ' 157' ' ' VAL . . . 33.33 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -82.93 -59.38 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.765 ' CZ2' ' HA ' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.89 -51.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.025 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.644 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 1.3 ttt180 -61.88 -69.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.79 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 34.7 m-20 -65.73 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.673 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.2 pp -54.83 -60.14 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.513 ' CB ' ' HD3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.1 -46.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 5.4 tp10 -70.91 -80.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.23 -37.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 164' ' ' ILE . 47.7 m -65.21 143.01 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.29 -82.63 1.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 11.1 mtp -47.86 -63.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.26 -44.47 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 175' ' ' LYS . . . -59.16 -71.96 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.14 -31.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 18.6 mmtt -68.97 -44.59 72.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -77.62 -7.5 56.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.5 ttp -84.75 -54.0 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 2.4 p90 -76.69 -37.43 56.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.488 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 9.5 tt0 34.14 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.581 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -144.96 -46.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -94.56 100.83 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -138.67 125.91 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.8 tptt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' C ' ' N ' ' A' ' 134' ' ' MET . 54.4 t -66.03 -57.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.457 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.46 -29.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -80.52 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -44.13 -41.24 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.48 -54.5 9.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -41.73 -51.86 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.73 -54.88 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -43.24 -37.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tp -71.75 -49.26 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.625 ' O ' ' HG3' ' A' ' 142' ' ' GLN . 3.9 tptm -93.06 -115.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 141' ' ' LYS . 2.6 pp0? 36.63 30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.711 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 2.2 p 161.65 111.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.66 113.3 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 15.3 pttm -161.35 177.16 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 5.5 tt0 -137.08 -71.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.6 m-20 155.93 177.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.98 -58.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.87 73.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.419 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -175.55 97.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.463 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.7 OUTLIER -132.94 83.14 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.9 116.8 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -95.03 149.26 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 141' ' ' LYS . 2.7 tp -71.18 -134.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 156' ' ' ASP . 8.2 ptt180 -108.46 -40.84 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLY . 39.4 t0 -57.65 -48.4 79.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.662 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.1 OUTLIER 35.47 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.662 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 30.34 -96.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -81.32 -51.56 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.711 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.4 OUTLIER -42.5 -60.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.638 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 1.5 ttm180 -57.1 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.49 -51.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.9 m-20 -58.57 -72.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.681 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -57.95 -54.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -29.09 -55.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.542 ' CG ' ' N ' ' A' ' 167' ' ' LYS . 4.2 pt-20 -80.17 -48.86 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' A' ' 166' ' ' GLU . 8.1 mttt -49.06 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.55 110.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 138.02 -94.03 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.3 ptp -59.11 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 1.0 OUTLIER -73.88 -31.25 63.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 176' ' ' MET . . . -77.56 -38.67 27.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -73.87 -37.75 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -72.89 -39.07 66.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 171' ' ' GLU . 0.6 OUTLIER -77.74 -21.86 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.474 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 2.7 tpp -74.02 -60.93 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -68.92 -32.85 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.5 OUTLIER 39.28 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.562 ' HB1' ' CD2' ' A' ' 177' ' ' PHE . . . -166.05 70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 135.99 120.98 2.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -161.69 112.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' N ' ' A' ' 134' ' ' MET . 71.1 t -57.68 -59.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.445 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.31 -29.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.452 ' N ' ' C ' ' A' ' 132' ' ' VAL . 4.0 tmm? -78.11 -53.53 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.24 -39.66 45.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.88 -52.79 18.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -63.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -54.83 -45.34 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.3 t30 -39.62 -63.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -76.62 -74.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -44.42 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.515 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -160.66 119.19 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.721 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 1.2 p 39.67 89.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 5.0 ptmt -116.16 104.73 11.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.3 OUTLIER -152.69 160.58 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.415 ' CB ' ' HD2' ' A' ' 150' ' ' LYS . 0.6 OUTLIER -132.52 6.09 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 148' ' ' THR . 8.9 m-20 64.18 -177.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.4 OUTLIER 77.55 -53.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 178.33 52.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.415 ' HD2' ' CB ' ' A' ' 146' ' ' GLU . 1.6 ptpt -165.16 108.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.462 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.8 mp0 -139.98 88.48 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 20.1 mttt -87.36 109.07 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.596 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.661 ' C ' ' CD1' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.17 179.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 157' ' ' VAL . 1.1 tpp180 -57.3 -64.87 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.444 ' N ' HD12 ' A' ' 154' ' ' LEU . 4.4 t0 -60.76 61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 155' ' ' ARG . 0.5 OUTLIER -83.52 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.64 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 22.86 -102.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.595 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -72.64 -67.47 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.763 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.721 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.3 OUTLIER -25.72 -48.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 162' ' ' LYS . 1.6 ttt180 -63.79 -72.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -23.55 -49.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.4 m-20 -58.62 -73.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.643 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -58.66 -54.98 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.4 tt0 -28.93 -55.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 170' ' ' MET . 1.3 tp10 -70.33 -59.48 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -90.3 66.78 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 17.0 p -147.28 -57.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -97.55 -78.47 1.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 166' ' ' GLU . 17.7 ptm -37.37 -39.58 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.61 -68.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -39.19 -40.41 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.81 -70.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -43.04 -32.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 7.9 ttpt -63.13 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 10.0 ptp -55.53 -17.3 5.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -82.69 -83.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 40.3 72.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -46.93 -61.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 175.29 -122.55 0.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.34 121.5 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.559 ' O ' ' C ' ' A' ' 133' ' ' ASN . 10.1 p 32.36 87.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.559 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER 26.51 49.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 135' ' ' ASP . 9.2 mmt 57.89 79.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.547 ' C ' ' O ' ' A' ' 134' ' ' MET . 3.5 m-20 27.19 54.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.543 ' HA ' ' ND2' ' A' ' 133' ' ' ASN . 12.1 tp 44.73 67.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 137' ' ' ARG . 4.3 mpt_? 55.72 19.39 3.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . . . 69.11 82.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 139' ' ' ASN . 0.2 OUTLIER 38.42 43.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.7 mp 67.74 83.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.518 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER 74.62 -59.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.66 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.4 OUTLIER 77.44 164.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.755 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -16.75 121.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.518 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -142.71 148.21 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 150' ' ' LYS . 5.8 pttp 176.13 -176.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.407 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 0.9 OUTLIER -125.42 0.91 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 148' ' ' THR . 0.2 OUTLIER 62.53 -163.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 1.3 m 67.77 -58.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 147' ' ' ASP . 4.3 pt-20 179.61 50.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -163.46 110.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.463 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.7 mp0 -112.13 158.49 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.491 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -145.83 113.93 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.545 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.17 138.44 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -99.81 -170.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -23.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.489 ' O ' ' C ' ' A' ' 157' ' ' VAL . 6.6 t70 -69.51 -1.86 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.605 ' CG2' ' N ' ' A' ' 158' ' ' GLY . 0.2 OUTLIER -32.83 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 31.02 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 157' ' ' VAL . 62.0 m-20 -85.02 -54.32 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.755 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.47 -51.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 162' ' ' LYS . 0.0 OUTLIER -64.02 -69.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.79 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 161' ' ' ARG . 9.4 m-20 -66.9 -74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.637 ' CG2' ' CZ3' ' A' ' 160' ' ' TRP . 1.3 pp -54.72 -60.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.6 tp10 -36.33 -51.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 2.0 tp10 -61.14 -55.24 34.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -157.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.2 m 72.29 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.94 -79.68 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.95 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -46.7 -43.14 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.12 -35.06 86.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 176' ' ' MET . 1.3 tpm_? -76.32 -65.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.33 -36.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.448 ' CE ' ' HA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -78.06 -42.85 30.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 173' ' ' ARG . 11.7 tpt -50.01 -59.37 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -72.31 -39.13 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 16.4 tt0 57.79 144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.624 ' CB ' ' CE2' ' A' ' 177' ' ' PHE . . . 179.83 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -140.91 128.18 3.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.95 148.55 36.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 69.4 t -54.99 -60.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.417 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -38.97 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.9 tpt -78.31 -50.76 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -55.72 -34.48 65.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -47.93 31.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.43 -57.81 9.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.465 ' HB3' ' CD ' ' A' ' 155' ' ' ARG . . . -62.36 -43.76 98.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 135' ' ' ASP . 0.6 OUTLIER -40.94 -59.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mp -74.69 -72.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 15.3 tptm -71.01 122.97 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.566 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -174.86 34.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -172.13 112.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.519 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 9.4 pttt -155.57 139.09 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 177.47 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.4 OUTLIER -115.95 -54.84 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.4 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' A' ' 149' ' ' GLU . 6.6 t -129.7 135.0 47.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 148' ' ' THR . 2.9 tt0 71.82 -48.32 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -73.99 56.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -103.5 125.01 49.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.519 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -107.81 101.45 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.569 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.23 125.2 48.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' A' ' 142' ' ' GLN . 6.6 mp -91.42 -169.0 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.465 ' CD ' ' HB3' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -60.88 -46.47 90.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -69.55 48.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.639 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.2 t -76.3 -69.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.639 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 26.94 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 160' ' ' TRP . 94.7 m-20 -80.51 -61.12 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.619 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.3 OUTLIER -29.95 -46.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.612 ' HB2' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -70.27 -69.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.2 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.2 m-20 -64.93 -72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.619 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -56.64 -57.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 161' ' ' ARG . 19.3 tp10 -34.11 -51.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -68.62 -78.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.26 -31.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 164' ' ' ILE . 48.5 t -66.78 134.03 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.35 -63.75 1.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.63 -32.18 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.15 -42.62 59.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.49 84.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -53.97 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 0.807 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -56.08 -30.3 61.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -38.76 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.6 -52.65 59.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -81.6 -35.34 30.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.596 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 61.9 tt0 34.31 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.579 ' HB2' ' CD2' ' A' ' 177' ' ' PHE . . . -143.06 -61.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -67.6 80.55 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -164.48 97.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.483 ' CE ' ' SD ' ' A' ' 134' ' ' MET . 2.0 tttp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 133' ' ' ASN . 96.4 t -57.59 -48.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.84 -65.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 131' ' ' LYS . 4.7 ptm -65.85 -33.7 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.4 t0 -52.3 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.64 -55.02 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.31 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.438 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -48.82 -58.32 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -40.93 -28.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 141' ' ' LYS . 0.4 OUTLIER -88.92 -68.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 140' ' ' LEU . 16.4 ttpt -45.1 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 60.92 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.698 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 6.4 p 30.32 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 9.2 pttt -102.21 75.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.717 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -106.59 143.38 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.5 OUTLIER -117.44 36.83 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 10.8 m-20 62.8 -173.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER 44.82 48.09 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 148' ' ' THR . 9.9 pt-20 49.95 48.31 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 148' ' ' THR . 4.4 mttp -115.62 37.25 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.717 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -77.92 120.93 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 2.0 mttt -108.74 107.43 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -67.43 139.12 57.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.614 HD23 ' CD1' ' A' ' 160' ' ' TRP . 1.1 pt? -84.17 -129.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.465 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.78 -36.14 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 158' ' ' GLY . 27.2 t0 -55.03 -49.14 72.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.615 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.37 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.612 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 32.52 -97.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 160' ' ' TRP . 6.6 t70 -82.22 -56.54 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.698 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.18 -55.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.615 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.81 -70.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 161' ' ' ARG . 10.4 m-20 -61.52 -76.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.642 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -52.8 -56.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.4 tt0 -32.41 -52.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.93 -74.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -69.82 107.89 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 167' ' ' LYS . 1.7 m 154.36 -74.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -47.09 -69.74 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -23.31 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.04 -54.28 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -65.42 -29.18 74.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -71.8 -55.12 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -63.68 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.459 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.95 -25.13 40.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 11.1 tpt -70.12 -56.04 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.0 OUTLIER -75.09 -34.38 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.9 tt0 34.38 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 177' ' ' PHE . . . -140.18 -56.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 176.99 150.67 8.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.14 110.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.1 tttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 134' ' ' MET . 54.3 t -60.39 -56.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.441 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.04 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.457 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -81.15 -53.32 6.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.41 -31.51 34.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.6 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -39.75 -51.85 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -67.39 -55.5 13.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.513 ' C ' ' O ' ' A' ' 138' ' ' ALA . 3.5 m-20 -31.44 -43.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.6 OUTLIER -91.03 -73.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HD2' ' CE ' ' A' ' 144' ' ' LYS . 1.6 tptm -60.28 94.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.611 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER 177.84 33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.636 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 164.32 85.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -146.73 173.87 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.525 ' HB3' ' CB ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -178.9 168.24 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.5 -0.18 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 148' ' ' THR . 4.7 m-20 67.16 160.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 1.8 m 81.38 49.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.09 53.93 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -168.8 111.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.525 ' CB ' ' HB3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -148.87 129.5 14.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 109.23 18.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -120.76 133.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.685 HD21 ' N ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -110.85 179.88 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.685 ' N ' HD21 ' A' ' 154' ' ' LEU . 43.0 tpt85 -26.23 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 154' ' ' LEU . 52.0 t0 -40.88 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.693 HG22 ' N ' ' A' ' 158' ' ' GLY . 0.9 OUTLIER 33.0 -101.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.693 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 35.91 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -83.13 -58.26 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.679 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -37.2 -50.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -61.37 -68.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.39 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.8 m-20 -65.43 -74.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.679 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 2.3 pp -58.66 -57.61 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 161' ' ' ARG . 61.0 tt0 -34.18 -53.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 167' ' ' LYS . 13.1 tt0 -79.57 -78.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -30.16 -45.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 10.4 t -67.19 131.14 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.56 -78.79 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -36.49 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.65 -56.27 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -67.38 -44.85 83.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -57.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.777 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.473 ' C ' ' N ' ' A' ' 176' ' ' MET . 6.9 pttt -67.66 -51.59 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -39.19 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.473 ' N ' ' C ' ' A' ' 174' ' ' LYS . 27.0 tpp -88.75 -61.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.98 -46.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER 34.37 93.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.619 ' CB ' ' CE2' ' A' ' 177' ' ' PHE . . . -169.76 50.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 143.56 95.72 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -137.93 128.44 26.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.784 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 65.4 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' MET . 50.4 t -66.29 -55.65 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.433 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.36 -30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -83.49 -53.01 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -36.54 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 137' ' ' ARG . 1.3 tp -79.63 -58.42 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -38.22 -38.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . -81.03 -53.31 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.8 t-20 -36.36 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 141' ' ' LYS . 2.9 mp -96.14 -65.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 140' ' ' LEU . 14.5 tttt -41.42 -95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.52 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER 65.67 -173.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.569 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -32.66 99.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -124.75 126.59 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.652 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 165.13 -163.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 8.2 tp10 -121.33 -80.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 156.24 -173.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 74.14 -57.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.27 60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.16 102.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.652 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 pm0 -133.29 137.43 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -119.75 107.83 13.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.535 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -89.31 140.87 29.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.594 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -98.28 -172.98 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.539 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -50.74 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -30.87 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.643 ' CG1' ' N ' ' A' ' 158' ' ' GLY . 1.1 t 64.83 -69.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.643 ' N ' ' CG1' ' A' ' 157' ' ' VAL . . . 27.89 -103.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.581 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -76.4 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.644 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.3 OUTLIER -28.84 -48.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.039 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.601 ' HB2' ' CG1' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -65.21 -70.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -25.99 -46.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 161' ' ' ARG . 43.9 m-20 -60.9 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.644 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -57.01 -54.15 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.7 tp10 -30.95 -54.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 167' ' ' LYS . 5.9 mm-40 -81.49 -56.93 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -37.54 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 p -59.63 151.37 24.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 110.43 -105.9 2.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.42 -23.49 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.82 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.54 -26.69 46.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -72.06 -54.94 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 14.2 pttt -60.68 -28.64 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.1 OUTLIER -82.61 -27.46 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.17 -50.23 61.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -82.42 -34.36 28.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER 35.21 90.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 177' ' ' PHE . . . -144.42 -61.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -177.69 120.73 0.74 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.28 149.59 46.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.499 ' N ' ' CB ' ' A' ' 135' ' ' ASP . 7.2 ttpt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.423 HG12 ' ND2' ' A' ' 133' ' ' ASN . 1.5 t 55.4 -151.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.53 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 0.2 OUTLIER -66.87 -56.78 8.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.484 ' C ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -31.13 -51.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.499 ' CB ' ' N ' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -70.16 -51.21 33.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' ASN . 54.6 tp -45.53 -62.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -51.73 -58.8 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.27 -22.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.15 -34.09 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' ARG . 0.3 OUTLIER -82.72 -69.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -35.75 -34.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -28.59 106.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.71 ' CG2' ' CH2' ' A' ' 160' ' ' TRP . 2.0 p 41.54 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.507 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 1.3 pttt -120.94 83.8 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -122.4 162.01 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.5 9.43 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 148' ' ' THR . 60.1 m-20 60.59 153.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 26.2 m 72.14 75.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 48.83 73.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.26 91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.24 99.79 3.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.507 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -89.39 113.8 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.521 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -97.04 115.51 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -62.76 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 157' ' ' VAL . 8.5 tpt180 -68.47 -42.79 78.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.651 ' N ' HD13 ' A' ' 154' ' ' LEU . 7.7 t0 -68.96 51.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.682 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -72.91 -82.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.63 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 34.93 -100.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 58.5 m-20 -80.58 -51.37 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.71 ' CH2' ' CG2' ' A' ' 143' ' ' VAL . 0.6 OUTLIER -38.15 -61.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.682 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.26 -67.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.585 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.63 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.7 m-20 -61.74 -76.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.665 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -51.99 -55.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.7 tm-20 -31.9 -54.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -69.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -68.52 -151.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 172' ' ' GLY . 0.5 OUTLIER 65.64 -80.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -51.71 -72.12 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.7 mtp -42.52 -63.62 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.66 -29.53 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.467 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -68.76 -39.39 85.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -35.44 66.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 3.6 mmtt -72.28 -39.39 68.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.489 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.7 OUTLIER -79.76 -20.49 46.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.489 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 tpt -73.44 -56.77 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -75.17 -32.57 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.588 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 8.6 pt-20 38.25 85.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.431 ' O ' ' CZ ' ' A' ' 177' ' ' PHE . . . -165.55 -179.99 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 148.54 -167.93 29.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.12 135.46 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.751 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 132' ' ' VAL . 5.9 mtpt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 131' ' ' LYS . 99.9 t 32.79 -110.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.44 ' N ' ' CG1' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -39.15 -65.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.429 ' HA ' ' CB ' ' A' ' 137' ' ' ARG . 3.3 mtt -53.7 -37.63 63.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -49.5 -67.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -28.19 69.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.429 ' CB ' ' HA ' ' A' ' 134' ' ' MET . 21.1 tpp180 -52.81 -67.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -61.12 -43.02 99.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' ALA . 62.0 m-20 -39.71 -46.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' LYS . 2.9 tp -89.47 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 142' ' ' GLN . 9.8 tptm -35.29 -62.21 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.571 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . 4.6 pt20 -30.58 136.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.768 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 1.8 p 40.8 91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 15.9 ptmt -133.38 116.51 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -118.75 125.63 50.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.505 ' HB2' ' CB ' ' A' ' 150' ' ' LYS . 4.3 mt-10 -116.75 25.18 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 150' ' ' LYS . 0.2 OUTLIER 58.08 -164.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.471 HG23 ' CD ' ' A' ' 150' ' ' LYS . 5.0 t 43.33 29.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 148' ' ' THR . 1.4 mt-10 74.22 40.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -99.5 52.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 145' ' ' LYS . 1.9 mt-10 -85.02 102.29 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -110.49 112.68 24.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.556 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -102.43 130.87 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.571 ' HB3' ' HA ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER -72.27 -151.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.578 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 4.0 ptt180 -87.61 -34.38 18.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 158' ' ' GLY . 6.6 t70 -51.9 -49.37 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.642 ' CG2' ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.1 -94.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.625 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 37.43 -95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 157' ' ' VAL . 28.3 m-20 -85.88 -53.6 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.775 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.61 -57.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.642 ' CB ' ' CG2' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -63.54 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -23.22 -49.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 22.4 m-20 -62.99 -74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.775 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.9 pp -53.18 -56.15 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.5 tp10 -34.78 -51.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.77 -75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -51.75 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.412 ' C ' ' OE1' ' A' ' 151' ' ' GLU . 37.2 m -38.22 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 107.94 -82.58 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -31.18 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 4.0 tt0 -73.09 -43.27 62.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.468 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -61.94 -37.55 94.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -42.87 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -58.82 -55.98 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -60.94 -38.4 85.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.442 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 6.7 ttt -67.83 -21.8 65.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.411 ' C ' ' N ' ' A' ' 179' ' ' ALA . 2.1 m-85 -97.78 -80.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 44.08 26.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 177' ' ' PHE . . . -170.23 150.06 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 87.2 -59.37 4.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.83 103.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' N ' ' A' ' 134' ' ' MET . 41.5 t -56.39 -58.45 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.45 HD21 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.4 -29.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.452 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -78.96 -56.9 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -49.87 -47.24 52.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.01 -45.6 73.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -52.6 -48.83 66.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.3 m-20 -37.93 -41.94 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.6 OUTLIER -89.8 -65.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.2 OUTLIER -35.29 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.553 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 3.6 pt20 -30.68 145.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.636 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER 42.91 93.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 5.7 ptmt -146.76 119.49 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.48 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -149.57 160.05 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -13.29 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 1.0 OUTLIER 173.45 -173.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -40.25 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 148' ' ' THR . 1.6 mm-40 -45.34 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.46 88.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.4 tt0 -137.59 104.42 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -93.89 108.73 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.569 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -101.36 110.16 22.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.644 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.2 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.48 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 6.8 ttt180 -75.44 -45.33 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.561 ' N ' HD11 ' A' ' 154' ' ' LEU . 1.4 t70 -67.9 53.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.684 ' CG2' ' HB2' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -79.3 -74.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.625 ' N ' ' CG2' ' A' ' 157' ' ' VAL . . . 31.1 -101.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.0 m-20 -79.91 -45.77 17.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.697 ' CZ3' HG12 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -41.8 -59.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.684 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -61.01 -68.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.96 -45.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.2 m-20 -62.97 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.697 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -57.21 -58.1 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.544 ' HB2' ' CD ' ' A' ' 161' ' ' ARG . 4.3 tp10 -32.33 -53.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.32 -71.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 65.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.0 t -153.44 -54.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -71.98 -78.89 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 9.8 mtt -52.04 -58.93 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 175' ' ' LYS . 1.4 tp10 -53.02 -34.91 58.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.84 77.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -63.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.43 -42.76 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . 0.428 ' CE ' ' N ' ' A' ' 176' ' ' MET . 1.7 ttpt -56.93 -56.29 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' MET . . . . . 0.428 ' N ' ' CE ' ' A' ' 175' ' ' LYS . 12.0 ttt -62.11 -17.17 56.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.08 -83.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 179' ' ' ALA . 11.0 pt-20 39.02 54.69 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . -40.47 105.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 161.11 -69.14 0.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 60.69 90.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 154' ' ' LEU . 6.6 tptt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.66 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -156.16 -171.23 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.955 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -37.53 109.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -131.48 110.08 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.427 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -151.96 150.99 30.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 147' ' ' ASP . 6.8 tp10 -123.81 9.39 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.735 ' O ' HG22 ' A' ' 148' ' ' THR . 0.9 OUTLIER 55.38 168.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 83.39 36.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 148' ' ' THR . 5.2 mm-40 72.5 50.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -163.39 88.63 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.427 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mp0 -125.07 147.47 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 11.2 mttm -131.26 110.53 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -90.85 119.61 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -61.88 -172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -68.56 -34.24 75.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -53.86 -51.69 62.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.99 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 33.26 -94.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.902 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.54 -96.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.7 m-20 -82.71 -56.98 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.955 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.06 -54.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.99 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.34 -68.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.11 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 25.6 m-80 -64.78 -75.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.899 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.4 pp -53.42 -58.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tm-20 -33.02 -53.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 10.6 tp10 -73.06 -63.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 166' ' ' GLU . 7.8 mttp -39.24 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 29.2 t -39.57 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 75.91 -83.92 0.92 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 8.4 mtp -52.58 -55.85 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.84 -32.04 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.465 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -65.65 -37.98 94.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -40.13 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -59.51 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -59.81 -39.07 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.427 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 ttt -65.9 -24.34 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.6 m-85 -96.26 -80.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 177' ' ' PHE . 4.1 pt-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 142' ' ' GLN . 4.7 ptmt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.629 ' C ' HG13 ' A' ' 143' ' ' VAL . 1.6 mm100 53.69 110.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.651 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.8 OUTLIER 52.68 106.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.529 ' CG ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -137.2 116.98 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -150.3 179.3 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -132.35 7.32 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 150' ' ' LYS . 19.6 m-20 59.6 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.502 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 13.5 m 74.23 69.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 51.13 73.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 148' ' ' THR . 2.0 ptmt 172.93 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.517 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.9 mp0 -130.63 148.2 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' HB3' ' CE ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -132.47 112.23 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.798 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -106.67 126.47 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.945 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.7 -85.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 167.21 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t70 71.13 3.2 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -32.58 -89.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 25.18 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 157' ' ' VAL . 17.2 m-20 -83.65 -56.06 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.38 -53.08 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -66.03 -69.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.57 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.4 m-20 -62.58 -73.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.754 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -55.99 -56.82 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 tm-20 -34.58 -51.8 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 8.3 tp10 -75.19 -68.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -72.59 68.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 66.4 m -168.6 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.14 -83.49 0.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.8 mtt -38.1 -68.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.77 -39.32 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.47 -60.09 9.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -45.26 87.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -57.86 -29.91 65.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -79.83 -31.94 40.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.456 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.6 ttp -63.28 -57.37 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 0.9 OUTLIER -73.63 -34.27 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.2 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.684 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -172.09 28.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.731 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.6 OUTLIER 166.89 116.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.528 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -143.17 146.6 33.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.408 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 7.7 pttm -173.33 167.04 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -134.83 8.98 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 148' ' ' THR . 9.7 m-20 56.79 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 2.5 m 82.57 40.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.92 58.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.37 82.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.7 mp0 -115.15 117.13 29.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.528 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -88.95 111.55 22.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.686 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -92.82 119.4 32.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -65.03 175.52 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.555 ' N ' HD22 ' A' ' 154' ' ' LEU . 3.6 ttt-85 -48.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' A' ' 155' ' ' ARG . 37.6 t0 -28.7 -88.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.922 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t 72.1 -72.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.848 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 29.03 -103.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 160' ' ' TRP . 36.4 m-20 -80.81 -58.18 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.99 -40.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.922 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 ttt180 -71.24 -65.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -30.04 -41.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -67.56 -75.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.808 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -51.7 -59.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.493 ' CG ' ' CD ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -36.98 -50.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.23 -75.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -42.23 -48.66 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.1 p -46.0 111.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.41 -67.87 0.22 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 12.9 ptm -59.86 -30.91 69.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.73 -57.26 12.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.82 -52.45 33.51 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -44.58 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 176' ' ' MET . 31.5 mttm -76.78 -52.48 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -28.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 177' ' ' PHE . 4.4 ttt -95.14 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.38 -45.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.65 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.485 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.782 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 55.33 -169.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.854 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -33.53 104.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.485 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -131.44 119.03 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.477 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 1.4 pttp -145.1 163.52 34.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.7 tt0 -114.35 -25.94 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 5.7 m-20 155.42 -171.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 147' ' ' ASP . 12.8 t -31.82 132.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 151' ' ' GLU . 33.0 mt-10 70.23 -56.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.08 79.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 2.4 mt-10 -131.59 105.91 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 2.4 mttt -92.06 111.23 22.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -94.09 121.55 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -66.64 -147.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.69 -28.12 18.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 157' ' ' VAL . 24.1 t70 -67.48 2.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.975 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -27.71 -91.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.881 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 24.62 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 157' ' ' VAL . 14.1 t70 -82.36 -59.44 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.887 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.92 -53.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.975 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.7 OUTLIER -60.39 -70.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.51 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 161' ' ' ARG . 23.6 m-20 -63.19 -73.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.887 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -55.89 -58.16 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -36.97 -46.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 167' ' ' LYS . 25.3 mt-10 -67.5 -79.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 166' ' ' GLU . 3.3 ptmm? -38.86 -47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 167' ' ' LYS . 9.8 t -38.91 -67.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.43 -43.53 90.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.0 mtp -55.2 -52.61 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -54.08 -30.7 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -73.01 -43.45 40.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -34.44 77.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -72.41 -43.6 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.408 ' HE2' ' CA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -75.87 -14.88 60.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.408 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 9.2 ttt -79.3 -62.38 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.1 p90 -68.53 -34.33 75.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.428 ' HE3' ' CD ' ' A' ' 144' ' ' LYS . 4.6 ttpt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' A' ' 143' ' ' VAL . 4.8 mm-40 63.19 145.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.774 HG23 ' HH2' ' A' ' 160' ' ' TRP . 4.4 p 36.65 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.54 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 13.2 pttt -118.7 123.94 46.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.2 pttm -174.77 168.47 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 148' ' ' THR . 2.6 mt-10 178.39 37.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER 61.79 -72.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.57 ' N ' ' O ' ' A' ' 146' ' ' GLU . 1.4 t -42.82 -53.61 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.537 ' N ' ' CG2' ' A' ' 148' ' ' THR . 24.7 mm-40 -86.76 -1.5 57.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER 71.06 -157.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.0 mt-10 -99.81 136.6 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.54 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 39.5 mttt -132.5 106.09 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -88.35 89.3 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -64.0 -153.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.822 ' N ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.02 172.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.3 t70 71.88 4.27 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.06 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.22 -90.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.857 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 27.52 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 157' ' ' VAL . 1.5 m-20 -83.47 -59.13 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.774 ' HH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.32 -48.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.06 ' CB ' HG23 ' A' ' 157' ' ' VAL . 8.3 tmm_? -64.06 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -31.97 -41.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 22.7 m-20 -65.37 -78.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.691 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 0.6 OUTLIER -47.56 -56.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 161' ' ' ARG . 2.2 tp10 -38.89 -49.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.8 -75.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -44.68 -71.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 164' ' ' ILE . 0.4 OUTLIER -67.8 127.36 32.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 134.96 -118.22 1.9 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -38.54 -35.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.784 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.59 -69.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -42.74 -38.31 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -44.02 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.504 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.45 -39.32 72.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -30.15 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 4.5 tpt -64.23 -60.3 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -71.59 -34.86 70.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.923 ' HG3' HG12 ' A' ' 143' ' ' VAL . 0.1 OUTLIER 68.48 24.73 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.073 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 p 165.87 98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -153.98 152.52 30.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -179.52 173.27 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.9 OUTLIER -118.96 -73.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER 160.05 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.6 p -68.8 60.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 72.3 3.0 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 2.1 mmtt -84.55 110.7 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.4 ' CD ' ' CB ' ' A' ' 168' ' ' SER . 1.5 mt-10 -137.33 97.24 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -91.89 101.08 13.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.777 ' OD2' HG21 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.34 157.06 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.869 HD13 ' CA ' ' A' ' 142' ' ' GLN . 6.7 tt -122.15 159.28 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -30.69 -60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.773 ' H ' HD23 ' A' ' 154' ' ' LEU . 13.6 t70 -39.4 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.942 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 58.05 -78.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.69 -101.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -79.29 -53.66 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.073 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -37.98 -58.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 107.996 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.942 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -59.41 -73.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.08 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -57.01 -72.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.759 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.4 pp -60.76 -54.44 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.641 ' N ' HD12 ' A' ' 164' ' ' ILE . 5.8 tp10 -28.14 -54.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.28 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.53 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER 177.14 -75.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -99.84 -47.74 1.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 33.4 mtt -54.66 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -35.16 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.27 -49.53 56.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -54.16 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.84 -41.17 95.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 4.2 ttpt -48.57 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 4.1 ttt -58.76 -47.23 85.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.9 m-85 -53.98 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' PHE . 9.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.515 ' CE ' ' CB ' ' A' ' 154' ' ' LEU . 3.9 ttpm? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.539 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 59.34 136.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 160' ' ' TRP . 3.1 p 29.03 95.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.477 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 5.8 pttt -109.95 82.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.517 ' HD3' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -123.34 159.41 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.489 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 3.4 tt0 -121.35 -0.66 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 148' ' ' THR . 0.1 OUTLIER 69.26 177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 82.97 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 148' ' ' THR . 0.5 OUTLIER 162.51 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -153.43 114.06 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mt-10 -141.82 95.03 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 11.7 mttm -85.12 121.39 27.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.726 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.27 115.44 27.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.67 176.54 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 154' ' ' LEU . 11.2 tpt85 -32.15 -70.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.547 ' O ' ' HD1' ' A' ' 160' ' ' TRP . 17.6 t70 -57.01 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.887 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -120.87 -68.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.79 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 33.01 -118.59 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -70.56 -56.21 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.794 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -31.12 -50.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.887 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -64.54 -67.32 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -27.63 -43.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.7 m-80 -64.9 -75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.794 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -51.87 -54.45 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.0 tp10 -37.24 -51.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 162' ' ' LYS . 1.2 mm-40 -65.88 -77.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.495 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 10.5 ptmt -39.65 -59.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 164' ' ' ILE . 43.3 t -48.07 161.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 73.52 -89.32 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -40.41 -34.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -61.35 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.72 -43.64 91.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -53.31 2.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 176' ' ' MET . 5.0 mttt -73.64 -48.08 35.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.52 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.5 -28.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.504 ' O ' ' C ' ' A' ' 177' ' ' PHE . 43.5 tpp -98.86 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -29.27 -47.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.648 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 5.0 mt-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.486 ' CD ' ' HD3' ' A' ' 144' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.783 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -170.73 28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.068 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 168.18 125.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.53 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -165.65 160.97 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 175.56 149.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -116.43 -2.31 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 2.1 m-20 70.4 157.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.464 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 2.8 m 64.67 81.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 150' ' ' LYS . 5.2 mm-40 48.39 69.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 1.4 ptmt 169.87 85.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 1.1 mt-10 -126.87 114.96 18.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.53 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 2.6 mmtt -87.05 110.54 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.526 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.3 OUTLIER -116.44 115.34 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.677 ' HG ' ' CA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -74.37 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.594 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -35.07 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.32 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.594 ' C ' ' O ' ' A' ' 155' ' ' ARG . 32.4 t0 -22.48 -78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.908 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 61.43 -73.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.825 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 28.49 -102.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.5 m-20 -79.52 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.068 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -31.85 -50.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.026 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.908 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.55 -70.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.77 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.7 m-20 -61.06 -72.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.765 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -57.99 -54.22 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.3 tp10 -31.91 -54.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.61 -68.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -72.37 97.32 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 169' ' ' GLY . 78.9 p -178.74 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -80.85 -86.69 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.9 mtm -40.3 -70.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 9.4 tp10 -48.78 -23.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 169' ' ' GLY . . . -74.28 -46.91 19.02 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -34.55 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.5 mttm -73.81 -43.33 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.414 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.414 ' N ' ' HE2' ' A' ' 175' ' ' LYS . 5.0 ttt -79.05 -61.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -69.46 -33.39 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.831 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER 76.96 170.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.712 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -20.17 123.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.611 ' HG2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -140.78 115.48 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.73 -169.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -140.14 12.31 2.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 148' ' ' THR . 1.9 m-20 72.53 146.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' LYS . 1.1 m 65.66 102.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 151' ' ' GLU . 4.9 mm-40 66.26 -68.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -53.29 86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 145' ' ' LYS . 2.3 mp0 -132.01 113.21 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 144' ' ' LYS . 12.1 mmtt -124.03 110.77 15.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.552 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -102.14 123.79 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.831 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.17 -115.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 154' ' ' LEU . 3.0 ptm85 -98.07 166.15 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 157' ' ' VAL . 3.6 t70 76.89 1.08 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -34.87 -87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.853 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 26.11 -90.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 157' ' ' VAL . 5.3 m-20 -84.44 -55.12 4.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.78 -55.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.09 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -64.21 -69.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.9 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' ARG . 33.2 m-80 -62.75 -77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.748 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -49.16 -54.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 tm-20 -34.76 -52.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.86 -22.04 26.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 164' ' ' ILE . 6.8 tptt -67.47 -79.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 135.11 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 120.24 -82.99 0.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 171' ' ' GLU . 3.4 ptt? -49.7 -36.23 24.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 170' ' ' MET . 5.1 tp10 -63.6 -70.65 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -41.76 -36.92 1.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.0 -60.89 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -54.17 -32.04 54.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 5.5 ttpt -60.32 -69.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.3 ttp -55.32 -27.6 48.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 111.071 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.51 -84.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' GLN . 1.4 tptm . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.599 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 5.1 pt20 -30.55 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.788 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 40.35 90.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.72 107.4 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.455 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.97 151.58 38.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -1.09 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.77 154.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.4 m 75.28 68.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 51.13 70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 2.0 mp0 -135.87 150.43 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -136.2 114.15 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.534 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.07 111.7 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.49 -157.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.791 ' O ' HG12 ' A' ' 157' ' ' VAL . 36.3 ptt180 -79.38 -34.36 42.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.627 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -48.41 -55.66 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.13 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 31.43 -96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.82 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 33.33 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -82.93 -59.38 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.89 -51.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.025 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.13 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.3 ttt180 -61.88 -69.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.79 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 34.7 m-20 -65.73 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.874 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.2 pp -54.83 -60.14 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.1 -46.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 5.4 tp10 -70.91 -80.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -38.23 -37.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 164' ' ' ILE . 47.7 m -65.21 143.01 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.29 -82.63 1.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 11.1 mtp -47.86 -63.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.26 -44.47 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 175' ' ' LYS . . . -59.16 -71.96 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.14 -31.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 18.6 mmtt -68.97 -44.59 72.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.465 ' HE2' ' CA ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -77.62 -7.5 56.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.5 ttp -84.75 -54.0 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 2.4 p90 -76.69 -37.43 56.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.488 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 9.5 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.739 ' O ' HG12 ' A' ' 143' ' ' VAL . 3.9 tptm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.804 ' N ' HD13 ' A' ' 154' ' ' LEU . 2.6 pp0? 36.63 30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.8 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.2 p 161.65 111.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.66 113.3 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 15.3 pttm -161.35 177.16 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 5.5 tt0 -137.08 -71.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.6 m-20 155.93 177.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.6 OUTLIER 70.98 -58.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -173.87 73.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.419 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -175.55 97.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.7 OUTLIER -132.94 83.14 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.9 116.8 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -95.03 149.26 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 142' ' ' GLN . 2.7 tp -71.18 -134.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.565 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.2 ptt180 -108.46 -40.84 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLY . 39.4 t0 -57.65 -48.4 79.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.118 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER 35.47 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.91 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 30.34 -96.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -81.32 -51.56 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.8 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -42.5 -60.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.118 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.5 ttm180 -57.1 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.49 -51.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.9 m-20 -58.57 -72.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.717 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -57.95 -54.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -29.09 -55.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.542 ' CG ' ' N ' ' A' ' 167' ' ' LYS . 4.2 pt-20 -80.17 -48.86 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' A' ' 166' ' ' GLU . 8.1 mttt -49.06 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.55 110.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 138.02 -94.03 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.3 ptp -59.11 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 1.0 OUTLIER -73.88 -31.25 63.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 176' ' ' MET . . . -77.56 -38.67 27.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -73.87 -37.75 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -72.89 -39.07 66.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 171' ' ' GLU . 0.6 OUTLIER -77.74 -21.86 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.474 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 2.7 tpp -74.02 -60.93 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 0.8 OUTLIER -68.92 -32.85 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.6 tttm . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.543 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -160.66 119.19 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.868 HG23 ' CH2' ' A' ' 160' ' ' TRP . 1.2 p 39.67 89.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 5.0 ptmt -116.16 104.73 11.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.3 OUTLIER -152.69 160.58 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.414 ' CB ' ' HD2' ' A' ' 150' ' ' LYS . 0.6 OUTLIER -132.52 6.09 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' A' ' 148' ' ' THR . 8.9 m-20 64.18 -177.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.4 OUTLIER 77.55 -53.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 148' ' ' THR . 1.6 mt-10 178.33 52.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.414 ' HD2' ' CB ' ' A' ' 146' ' ' GLU . 1.6 ptpt -165.16 108.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.8 mp0 -139.98 88.48 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 20.1 mttt -87.36 109.07 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.617 ' CG ' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.941 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.17 179.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 157' ' ' VAL . 1.1 tpp180 -57.3 -64.87 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' HD11 ' A' ' 154' ' ' LEU . 4.4 t0 -60.76 61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.807 HG13 ' HB2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -83.52 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 22.86 -102.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.595 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -72.64 -67.47 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.763 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.868 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -25.72 -48.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.807 ' HB2' HG13 ' A' ' 157' ' ' VAL . 1.6 ttt180 -63.79 -72.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -23.55 -49.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.4 m-20 -58.62 -73.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.822 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -58.66 -54.98 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.4 tt0 -28.93 -55.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 170' ' ' MET . 1.3 tp10 -70.33 -59.48 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -90.3 66.78 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 17.0 p -147.28 -57.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -97.55 -78.47 1.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 166' ' ' GLU . 17.7 ptm -37.37 -39.58 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.61 -68.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -39.19 -40.41 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.81 -70.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -43.04 -32.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 7.9 ttpt -63.13 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 10.0 ptp -55.53 -17.3 5.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -82.69 -83.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.854 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.66 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.2 OUTLIER 77.44 164.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.853 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -16.75 121.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.517 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -142.71 148.21 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 5.8 pttp 176.13 -176.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.407 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 0.9 OUTLIER -125.42 0.91 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' A' ' 148' ' ' THR . 0.2 OUTLIER 62.53 -163.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 149' ' ' GLU . 1.3 m 67.77 -58.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 148' ' ' THR . 4.3 pt-20 179.61 50.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -163.46 110.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.475 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.7 mp0 -112.13 158.49 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -145.83 113.93 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.17 138.44 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.854 HD12 ' HE2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -99.81 -170.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -23.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.525 ' CB ' HD23 ' A' ' 154' ' ' LEU . 6.6 t70 -69.51 -1.86 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -32.83 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.02 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 157' ' ' VAL . 62.0 m-20 -85.02 -54.32 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.47 -51.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -64.02 -69.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.79 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 161' ' ' ARG . 9.4 m-20 -66.9 -74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.921 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 pp -54.72 -60.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.6 tp10 -36.33 -51.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 2.0 tp10 -61.14 -55.24 34.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -157.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.2 m 72.29 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.94 -79.68 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.95 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -46.7 -43.14 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.12 -35.06 86.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 176' ' ' MET . 1.3 tpm_? -76.32 -65.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.33 -36.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -78.06 -42.85 30.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 173' ' ' ARG . 11.7 tpt -50.01 -59.37 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 174' ' ' LYS . 0.9 OUTLIER -72.31 -39.13 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 16.4 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 15.3 tptm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.645 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -174.86 34.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.921 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -172.13 112.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.52 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 9.4 pttt -155.57 139.09 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 177.47 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.4 OUTLIER -115.95 -54.84 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.4 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 149' ' ' GLU . 6.6 t -129.7 135.0 47.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 148' ' ' THR . 2.9 tt0 71.82 -48.32 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -73.99 56.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.575 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.2 tm-20 -103.5 125.01 49.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -107.81 101.45 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.568 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.23 125.2 48.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' ' 142' ' ' GLN . 6.6 mp -91.42 -169.0 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.88 -46.47 90.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -69.55 48.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.917 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -76.3 -69.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.786 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 26.94 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 160' ' ' TRP . 94.7 m-20 -80.51 -61.12 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -29.95 -46.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.917 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -70.27 -69.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.2 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.2 m-20 -64.93 -72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.845 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -56.64 -57.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 161' ' ' ARG . 19.3 tp10 -34.11 -51.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -68.62 -78.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.497 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.26 -31.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 164' ' ' ILE . 48.5 t -66.78 134.03 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.35 -63.75 1.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.63 -32.18 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.15 -42.62 59.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.49 84.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -53.97 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 0.807 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -56.08 -30.3 61.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -38.76 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.6 -52.65 59.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -81.6 -35.34 30.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.596 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 61.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 16.4 ttpt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.714 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 60.92 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.055 HG23 ' CH2' ' A' ' 160' ' ' TRP . 6.4 p 30.32 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 9.2 pttt -102.21 75.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.749 ' HD2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -106.59 143.38 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.5 OUTLIER -117.44 36.83 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 10.8 m-20 62.8 -173.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER 44.82 48.09 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 148' ' ' THR . 9.9 pt-20 49.95 48.31 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 148' ' ' THR . 4.4 mttp -115.62 37.25 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.711 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -77.92 120.93 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 2.0 mttt -108.74 107.43 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -67.43 139.12 57.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.733 ' H ' HD23 ' A' ' 154' ' ' LEU . 1.1 pt? -84.17 -129.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.67 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.78 -36.14 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 158' ' ' GLY . 27.2 t0 -55.03 -49.14 72.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.084 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.37 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.887 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.52 -97.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 160' ' ' TRP . 6.6 t70 -82.22 -56.54 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.055 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.18 -55.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.084 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.81 -70.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 161' ' ' ARG . 10.4 m-20 -61.52 -76.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.883 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -52.8 -56.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.4 tt0 -32.41 -52.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.93 -74.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -69.82 107.89 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 167' ' ' LYS . 1.7 m 154.36 -74.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -47.09 -69.74 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -23.31 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.04 -54.28 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -65.42 -29.18 74.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -71.8 -55.12 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -63.68 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.95 -25.13 40.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 11.1 tpt -70.12 -56.04 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 1.0 OUTLIER -75.09 -34.38 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HD2' ' CE ' ' A' ' 144' ' ' LYS . 1.6 tptm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.737 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER 177.84 33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.95 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 164.32 85.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -146.73 173.87 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.526 ' HB3' ' CB ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -178.9 168.24 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.5 -0.18 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 148' ' ' THR . 4.7 m-20 67.16 160.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 1.8 m 81.38 49.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.09 53.93 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -168.8 111.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -148.87 129.5 14.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 109.23 18.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -120.76 133.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -110.85 179.88 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.702 ' O ' HG12 ' A' ' 157' ' ' VAL . 43.0 tpt85 -26.23 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.688 ' H ' HD22 ' A' ' 154' ' ' LEU . 52.0 t0 -40.88 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.919 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 33.0 -101.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.818 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 35.91 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -83.13 -58.26 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.95 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.2 -50.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.919 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -61.37 -68.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.39 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.8 m-20 -65.43 -74.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.895 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.3 pp -58.66 -57.61 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.685 ' N ' HD12 ' A' ' 164' ' ' ILE . 61.0 tt0 -34.18 -53.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 167' ' ' LYS . 13.1 tt0 -79.57 -78.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -30.16 -45.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 10.4 t -67.19 131.14 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.56 -78.79 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -36.49 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.65 -56.27 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -67.38 -44.85 83.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -57.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.777 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.473 ' C ' ' N ' ' A' ' 176' ' ' MET . 6.9 pttt -67.66 -51.59 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.492 ' CE ' ' O ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -39.19 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.473 ' N ' ' C ' ' A' ' 174' ' ' LYS . 27.0 tpp -88.75 -61.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.98 -46.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 154' ' ' LEU . 0.6 OUTLIER 65.67 -173.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.841 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -32.66 99.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -124.75 126.59 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 165.13 -163.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 8.2 tp10 -121.33 -80.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 156.24 -173.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.548 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER 74.14 -57.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.548 ' N ' HG22 ' A' ' 148' ' ' THR . 1.0 OUTLIER -170.27 60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.16 102.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.651 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 pm0 -133.29 137.43 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -119.75 107.83 13.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.535 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -89.31 140.87 29.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -98.28 -172.98 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -50.74 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -30.87 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.914 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 64.83 -69.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.803 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.89 -103.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.581 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -76.4 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.841 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -28.84 -48.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.039 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.914 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -65.21 -70.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -25.99 -46.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 161' ' ' ARG . 43.9 m-20 -60.9 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -57.01 -54.15 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.7 tp10 -30.95 -54.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 167' ' ' LYS . 5.9 mm-40 -81.49 -56.93 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -37.54 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 p -59.63 151.37 24.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 110.43 -105.9 2.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.42 -23.49 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.82 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.54 -26.69 46.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -72.06 -54.94 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 14.2 pttt -60.68 -28.64 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.521 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.1 OUTLIER -82.61 -27.46 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.17 -50.23 61.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -82.42 -34.36 28.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 141' ' ' LYS . 2.0 mm-40 -28.59 106.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 1.046 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.0 p 41.54 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.508 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 1.3 pttt -120.94 83.8 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -122.4 162.01 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.5 9.43 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 148' ' ' THR . 60.1 m-20 60.59 153.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 26.2 m 72.14 75.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 48.83 73.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.26 91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.24 99.79 3.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.508 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -89.39 113.8 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.521 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -97.04 115.51 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.743 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.76 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.624 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.5 tpt180 -68.47 -42.79 78.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.551 ' H ' HD22 ' A' ' 154' ' ' LEU . 7.7 t0 -68.96 51.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.139 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -72.91 -82.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.871 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.93 -100.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 58.5 m-20 -80.58 -51.37 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 1.046 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.6 OUTLIER -38.15 -61.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.139 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.26 -67.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.585 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.63 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.7 m-20 -61.74 -76.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.767 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -51.99 -55.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.7 tm-20 -31.9 -54.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -69.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -68.52 -151.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 172' ' ' GLY . 0.5 OUTLIER 65.64 -80.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -51.71 -72.12 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.7 mtp -42.52 -63.62 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.66 -29.53 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.467 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -68.76 -39.39 85.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -35.44 66.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 3.6 mmtt -72.28 -39.39 68.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.489 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.7 OUTLIER -79.76 -20.49 46.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.489 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 tpt -73.44 -56.77 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -75.17 -32.57 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.588 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 8.6 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 142' ' ' GLN . 9.8 tptm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . 4.6 pt20 -30.58 136.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.87 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 p 40.8 91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 15.9 ptmt -133.38 116.51 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -118.75 125.63 50.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 150' ' ' LYS . 4.3 mt-10 -116.75 25.18 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 150' ' ' LYS . 0.2 OUTLIER 58.08 -164.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.507 HG23 ' HD3' ' A' ' 150' ' ' LYS . 5.0 t 43.33 29.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 148' ' ' THR . 1.4 mt-10 74.22 40.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -99.5 52.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 145' ' ' LYS . 1.9 mt-10 -85.02 102.29 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -110.49 112.68 24.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.556 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -102.43 130.87 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.557 ' HB3' ' HA ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER -72.27 -151.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.773 ' O ' HG12 ' A' ' 157' ' ' VAL . 4.0 ptt180 -87.61 -34.38 18.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 158' ' ' GLY . 6.6 t70 -51.9 -49.37 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.155 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.1 -94.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.873 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 37.43 -95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 157' ' ' VAL . 28.3 m-20 -85.88 -53.6 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -39.61 -57.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.155 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -63.54 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -23.22 -49.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 22.4 m-20 -62.99 -74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.782 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.9 pp -53.18 -56.15 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.5 tp10 -34.78 -51.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.77 -75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -51.75 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.412 ' C ' ' OE1' ' A' ' 151' ' ' GLU . 37.2 m -38.22 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 107.94 -82.58 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -31.18 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 4.0 tt0 -73.09 -43.27 62.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.468 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -61.94 -37.55 94.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -42.87 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -58.82 -55.98 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -60.94 -38.4 85.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.442 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 6.7 ttt -67.83 -21.8 65.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.78 -80.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.604 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 13.8 pt20 -30.68 145.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.66 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER 42.91 93.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 5.7 ptmt -146.76 119.49 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -149.57 160.05 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -13.29 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 1.0 OUTLIER 173.45 -173.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -40.25 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.669 ' H ' HG23 ' A' ' 148' ' ' THR . 1.6 mm-40 -45.34 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.46 88.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.483 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.4 tt0 -137.59 104.42 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -93.89 108.73 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.569 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -101.36 110.16 22.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.765 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.2 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.48 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 6.8 ttt180 -75.44 -45.33 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.627 ' H ' HD22 ' A' ' 154' ' ' LEU . 1.4 t70 -67.9 53.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 1.025 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -79.3 -74.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.843 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.1 -101.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.0 m-20 -79.91 -45.77 17.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.733 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -41.8 -59.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 1.025 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -61.01 -68.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.96 -45.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.2 m-20 -62.97 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.733 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -57.21 -58.1 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.544 ' HB2' ' CD ' ' A' ' 161' ' ' ARG . 4.3 tp10 -32.33 -53.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.32 -71.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 65.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.0 t -153.44 -54.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -71.98 -78.89 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 9.8 mtt -52.04 -58.93 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 175' ' ' LYS . 1.4 tp10 -53.02 -34.91 58.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.84 77.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -63.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.43 -42.76 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' LYS . . . . . 0.428 ' CE ' ' N ' ' A' ' 176' ' ' MET . 1.7 ttpt -56.93 -56.29 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' MET . . . . . 0.428 ' N ' ' CE ' ' A' ' 175' ' ' LYS . 12.0 ttt -62.11 -17.17 56.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.08 -83.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 133' ' ' ASN . 73.1 t -54.08 -44.14 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -38.75 -58.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -50.18 68.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -42.07 -43.57 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.08 -49.13 47.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -49.02 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -56.01 -44.95 79.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -39.44 -60.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -79.67 -73.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 154' ' ' LEU . 6.6 tptt -46.42 93.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.66 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -156.16 -171.23 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.955 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -37.53 109.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -131.48 110.08 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.427 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -151.96 150.99 30.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 147' ' ' ASP . 6.8 tp10 -123.81 9.39 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.735 ' O ' HG22 ' A' ' 148' ' ' THR . 0.9 OUTLIER 55.38 168.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 83.39 36.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 148' ' ' THR . 5.2 mm-40 72.5 50.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -163.39 88.63 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.427 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mp0 -125.07 147.47 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 11.2 mttm -131.26 110.53 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -90.85 119.61 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -61.88 -172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -68.56 -34.24 75.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -53.86 -51.69 62.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.99 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 33.26 -94.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.902 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.54 -96.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.7 m-20 -82.71 -56.98 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.955 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.06 -54.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.99 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.34 -68.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.11 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 25.6 m-80 -64.78 -75.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.899 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.4 pp -53.42 -58.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tm-20 -33.02 -53.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 10.6 tp10 -73.06 -63.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 166' ' ' GLU . 7.8 mttp -39.24 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 29.2 t -39.57 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 75.91 -83.92 0.92 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 8.4 mtp -52.58 -55.85 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.84 -32.04 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.465 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -65.65 -37.98 94.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -40.13 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -59.51 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -59.81 -39.07 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.427 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 ttt -65.9 -24.34 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.6 m-85 -96.26 -80.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 177' ' ' PHE . 4.1 pt-20 36.02 47.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -40.7 105.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 140.34 127.86 2.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.1 144.0 28.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.366 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' CG ' ' HG2' ' A' ' 134' ' ' MET . 1.5 tttp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 71.6 t -57.57 -30.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 135' ' ' ASP . 1.4 ptt? -67.09 -19.74 65.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 134' ' ' MET . 42.5 t0 -64.87 -65.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 136' ' ' LEU . 11.7 tp -60.95 -50.24 74.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -46.26 -63.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 154' ' ' LEU . . . -49.43 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -43.08 -26.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -83.71 -87.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 140' ' ' LEU . 4.7 ptmt -34.85 -59.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.629 ' C ' HG13 ' A' ' 143' ' ' VAL . 1.6 mm100 53.69 110.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.651 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.8 OUTLIER 52.68 106.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.529 ' CG ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -137.2 116.98 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -150.3 179.3 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -132.35 7.32 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 150' ' ' LYS . 19.6 m-20 59.6 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.502 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 13.5 m 74.23 69.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 51.13 73.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 148' ' ' THR . 2.0 ptmt 172.93 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.517 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.9 mp0 -130.63 148.2 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' HB3' ' CE ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -132.47 112.23 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.798 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -106.67 126.47 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.945 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.7 -85.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 167.21 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t70 71.13 3.2 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -32.58 -89.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 25.18 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 157' ' ' VAL . 17.2 m-20 -83.65 -56.06 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.38 -53.08 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -66.03 -69.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.57 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.4 m-20 -62.58 -73.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.754 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -55.99 -56.82 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 tm-20 -34.58 -51.8 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 8.3 tp10 -75.19 -68.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -72.59 68.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 66.4 m -168.6 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.14 -83.49 0.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.8 mtt -38.1 -68.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.77 -39.32 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.47 -60.09 9.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -45.26 87.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -57.86 -29.91 65.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -79.83 -31.94 40.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.456 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.6 ttp -63.28 -57.37 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.888 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -73.63 -34.27 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.2 mt-10 35.18 90.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.888 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -144.74 -63.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 75.71 85.41 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.42 84.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' C ' ' N ' ' A' ' 134' ' ' MET . 79.0 t -64.79 -57.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -39.75 -29.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.451 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -80.59 -56.03 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -39.37 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.0 tp -74.26 -48.64 27.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -47.39 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -72.64 -48.7 37.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' ALA . 32.2 m-20 -36.39 -50.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.8 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.43 106.92 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.684 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -172.09 28.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.731 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.6 OUTLIER 166.89 116.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.528 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -143.17 146.6 33.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.408 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 7.7 pttm -173.33 167.04 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -134.83 8.98 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 148' ' ' THR . 9.7 m-20 56.79 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 2.5 m 82.57 40.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.92 58.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.37 82.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.7 mp0 -115.15 117.13 29.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.528 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -88.95 111.55 22.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.686 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -92.82 119.4 32.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -65.03 175.52 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.555 ' N ' HD22 ' A' ' 154' ' ' LEU . 3.6 ttt-85 -48.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' A' ' 155' ' ' ARG . 37.6 t0 -28.7 -88.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.922 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t 72.1 -72.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.848 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 29.03 -103.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 160' ' ' TRP . 36.4 m-20 -80.81 -58.18 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.99 -40.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.922 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 ttt180 -71.24 -65.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -30.04 -41.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -67.56 -75.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.808 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -51.7 -59.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.493 ' CG ' ' CD ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -36.98 -50.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.23 -75.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -42.23 -48.66 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.1 p -46.0 111.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.41 -67.87 0.22 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 12.9 ptm -59.86 -30.91 69.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.73 -57.26 12.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.82 -52.45 33.51 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -44.58 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 176' ' ' MET . 31.5 mttm -76.78 -52.48 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -28.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 177' ' ' PHE . 4.4 ttt -95.14 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.901 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -31.38 -45.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.65 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 2.6 mt-10 23.21 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.901 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -146.78 -85.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.08 140.06 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.86 133.18 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 133' ' ' ASN . 14.7 p -49.2 -50.92 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.488 ' N ' HG13 ' A' ' 132' ' ' VAL . 0.5 OUTLIER -38.81 -63.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 1.3 mtt -54.91 -42.22 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -38.09 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -54.75 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -44.05 -56.07 4.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.0 -45.46 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.25 -50.08 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.5 OUTLIER -80.99 -73.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.485 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 14.0 tttt -35.84 -89.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.782 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 55.33 -169.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.854 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -33.53 104.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.485 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -131.44 119.03 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.477 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 1.4 pttp -145.1 163.52 34.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.7 tt0 -114.35 -25.94 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 5.7 m-20 155.42 -171.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 147' ' ' ASP . 12.8 t -31.82 132.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 151' ' ' GLU . 33.0 mt-10 70.23 -56.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.08 79.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 2.4 mt-10 -131.59 105.91 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 2.4 mttt -92.06 111.23 22.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -94.09 121.55 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -66.64 -147.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.69 -28.12 18.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 157' ' ' VAL . 24.1 t70 -67.48 2.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.975 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -27.71 -91.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.881 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 24.62 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 157' ' ' VAL . 14.1 t70 -82.36 -59.44 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.887 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.92 -53.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.975 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.7 OUTLIER -60.39 -70.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.51 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 161' ' ' ARG . 23.6 m-20 -63.19 -73.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.887 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -55.89 -58.16 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -36.97 -46.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 167' ' ' LYS . 25.3 mt-10 -67.5 -79.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 166' ' ' GLU . 3.3 ptmm? -38.86 -47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 167' ' ' LYS . 9.8 t -38.91 -67.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.43 -43.53 90.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.0 mtp -55.2 -52.61 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -54.08 -30.7 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -73.01 -43.45 40.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -34.44 77.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -72.41 -43.6 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.408 ' HE2' ' CA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -75.87 -14.88 60.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.408 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 9.2 ttt -79.3 -62.38 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.1 p90 -68.53 -34.33 75.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER 32.05 89.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.55 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -147.01 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 138.14 131.41 2.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.13 84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 52.7 t -64.13 -55.43 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -39.91 -29.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.459 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.5 OUTLIER -82.75 -59.02 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -44.45 -37.91 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' ARG . 9.7 tt -78.16 -55.58 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -38.59 -40.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.924 ' HB1' HD23 ' A' ' 154' ' ' LEU . . . -82.58 -49.3 10.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -40.69 -30.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -95.85 -64.01 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 140' ' ' LEU . 4.6 ttpt -35.08 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' A' ' 143' ' ' VAL . 4.8 mm-40 63.19 145.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.774 HG23 ' HH2' ' A' ' 160' ' ' TRP . 4.4 p 36.65 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.54 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 13.2 pttt -118.7 123.94 46.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.2 pttm -174.77 168.47 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 148' ' ' THR . 2.6 mt-10 178.39 37.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER 61.79 -72.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.57 ' N ' ' O ' ' A' ' 146' ' ' GLU . 1.4 t -42.82 -53.61 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.537 ' N ' ' CG2' ' A' ' 148' ' ' THR . 24.7 mm-40 -86.76 -1.5 57.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER 71.06 -157.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.0 mt-10 -99.81 136.6 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.54 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 39.5 mttt -132.5 106.09 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -88.35 89.3 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.924 HD23 ' HB1' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -64.0 -153.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.822 ' N ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.02 172.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.3 t70 71.88 4.27 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.06 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.22 -90.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.857 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 27.52 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 157' ' ' VAL . 1.5 m-20 -83.47 -59.13 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.774 ' HH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.32 -48.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.06 ' CB ' HG23 ' A' ' 157' ' ' VAL . 8.3 tmm_? -64.06 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -31.97 -41.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 22.7 m-20 -65.37 -78.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.691 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 0.6 OUTLIER -47.56 -56.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 161' ' ' ARG . 2.2 tp10 -38.89 -49.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.8 -75.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -44.68 -71.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 164' ' ' ILE . 0.4 OUTLIER -67.8 127.36 32.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 134.96 -118.22 1.9 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -38.54 -35.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.784 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.59 -69.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -42.74 -38.31 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -44.02 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.504 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.45 -39.32 72.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -30.15 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 4.5 tpt -64.23 -60.3 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.809 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.8 OUTLIER -71.59 -34.86 70.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER 42.14 88.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.809 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -171.37 52.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.71 163.7 52.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -95.58 109.49 21.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.026 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 pttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 134' ' ' MET . 71.1 t -66.24 -59.81 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -39.4 -29.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.464 ' N ' ' C ' ' A' ' 132' ' ' VAL . 3.6 mmt -80.53 -48.44 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 87.9 m-20 -56.42 -37.65 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.62 -57.87 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 141' ' ' LYS . 5.5 mtt180 -47.78 -36.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -61.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 139' ' ' ASN . 26.8 t-20 -41.3 -67.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 mp -52.58 -68.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.43 -163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.923 ' HG3' HG12 ' A' ' 143' ' ' VAL . 0.1 OUTLIER 68.48 24.73 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.073 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 p 165.87 98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -153.98 152.52 30.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -179.52 173.27 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.9 OUTLIER -118.96 -73.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER 160.05 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.6 p -68.8 60.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 72.3 3.0 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 2.1 mmtt -84.55 110.7 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.4 ' CD ' ' CB ' ' A' ' 168' ' ' SER . 1.5 mt-10 -137.33 97.24 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -91.89 101.08 13.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.777 ' OD2' HG21 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.34 157.06 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.869 HD13 ' CA ' ' A' ' 142' ' ' GLN . 6.7 tt -122.15 159.28 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -30.69 -60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.773 ' H ' HD23 ' A' ' 154' ' ' LEU . 13.6 t70 -39.4 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.942 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 58.05 -78.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.69 -101.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -79.29 -53.66 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.073 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -37.98 -58.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 107.996 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.942 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -59.41 -73.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.08 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -57.01 -72.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.759 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.4 pp -60.76 -54.44 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.641 ' N ' HD12 ' A' ' 164' ' ' ILE . 5.8 tp10 -28.14 -54.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.28 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.53 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER 177.14 -75.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -99.84 -47.74 1.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 33.4 mtt -54.66 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -35.16 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.27 -49.53 56.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -54.16 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.84 -41.17 95.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 4.2 ttpt -48.57 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 4.1 ttt -58.76 -47.23 85.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.9 m-85 -53.98 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' PHE . 9.3 pt-20 38.26 55.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -40.77 110.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 126.96 -143.3 14.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -174.95 169.25 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.8 t -56.89 -41.45 76.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -39.87 -56.83 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.3 mmt -68.08 -47.21 68.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -44.12 -39.43 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.83 -55.24 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.41 -44.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 1.024 ' HB1' HD23 ' A' ' 154' ' ' LEU . . . -78.17 -47.38 18.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -42.13 -29.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -98.61 -64.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.515 ' CE ' ' CB ' ' A' ' 154' ' ' LEU . 3.9 ttpm? -33.39 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.539 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 59.34 136.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 160' ' ' TRP . 3.1 p 29.03 95.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.477 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 5.8 pttt -109.95 82.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.517 ' HD3' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -123.34 159.41 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.489 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 3.4 tt0 -121.35 -0.66 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 148' ' ' THR . 0.1 OUTLIER 69.26 177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 82.97 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 148' ' ' THR . 0.5 OUTLIER 162.51 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -153.43 114.06 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mt-10 -141.82 95.03 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 11.7 mttm -85.12 121.39 27.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.726 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.27 115.44 27.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.024 HD23 ' HB1' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -90.67 176.54 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 154' ' ' LEU . 11.2 tpt85 -32.15 -70.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.547 ' O ' ' HD1' ' A' ' 160' ' ' TRP . 17.6 t70 -57.01 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.887 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -120.87 -68.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.79 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 33.01 -118.59 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -70.56 -56.21 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.794 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -31.12 -50.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.887 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -64.54 -67.32 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -27.63 -43.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.7 m-80 -64.9 -75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.794 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -51.87 -54.45 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.0 tp10 -37.24 -51.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 162' ' ' LYS . 1.2 mm-40 -65.88 -77.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.495 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 10.5 ptmt -39.65 -59.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 164' ' ' ILE . 43.3 t -48.07 161.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 73.52 -89.32 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -40.41 -34.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -61.35 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.72 -43.64 91.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -53.31 2.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 176' ' ' MET . 5.0 mttt -73.64 -48.08 35.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.52 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.5 -28.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.504 ' O ' ' C ' ' A' ' 177' ' ' PHE . 43.5 tpp -98.86 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -29.27 -47.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.648 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 5.0 mt-10 44.49 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -73.0 149.99 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 174.01 120.43 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.79 153.69 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 135' ' ' ASP . 72.7 t -72.07 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -37.46 -44.26 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -45.41 64.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 18.7 t70 -52.65 -48.89 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -41.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.77 -57.23 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -66.84 -48.67 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 138' ' ' ALA . 59.8 m-20 -35.55 -48.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.32 -74.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.486 ' CD ' ' HD3' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -66.34 105.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.783 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -170.73 28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.068 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 168.18 125.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.53 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -165.65 160.97 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 175.56 149.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -116.43 -2.31 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 2.1 m-20 70.4 157.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.464 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 2.8 m 64.67 81.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 150' ' ' LYS . 5.2 mm-40 48.39 69.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 1.4 ptmt 169.87 85.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 1.1 mt-10 -126.87 114.96 18.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.53 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 2.6 mmtt -87.05 110.54 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.526 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.3 OUTLIER -116.44 115.34 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.677 ' HG ' ' CA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -74.37 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.594 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -35.07 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.32 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.594 ' C ' ' O ' ' A' ' 155' ' ' ARG . 32.4 t0 -22.48 -78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.908 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 61.43 -73.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.825 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 28.49 -102.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.5 m-20 -79.52 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.068 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -31.85 -50.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.026 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.908 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.55 -70.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.77 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.7 m-20 -61.06 -72.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.765 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -57.99 -54.22 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.3 tp10 -31.91 -54.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.61 -68.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -72.37 97.32 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 169' ' ' GLY . 78.9 p -178.74 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -80.85 -86.69 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.9 mtm -40.3 -70.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 9.4 tp10 -48.78 -23.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 169' ' ' GLY . . . -74.28 -46.91 19.02 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -34.55 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.5 mttm -73.81 -43.33 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.414 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.414 ' N ' ' HE2' ' A' ' 175' ' ' LYS . 5.0 ttt -79.05 -61.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.912 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -69.46 -33.39 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mm-40 35.65 91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.912 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -145.62 -64.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -52.5 135.4 37.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.23 171.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' VAL . 1.8 ttmt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.773 HG12 HD13 ' A' ' 136' ' ' LEU . 2.0 t 40.29 56.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 132' ' ' VAL . 1.5 p30 44.08 82.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.561 ' CG ' ' O ' ' A' ' 134' ' ' MET . 0.0 OUTLIER 53.0 77.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 134' ' ' MET . 4.7 m-20 31.42 53.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.773 HD13 HG12 ' A' ' 132' ' ' VAL . 14.6 tp 42.45 66.48 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 8.2 mmt180 56.36 22.0 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . . . 68.0 81.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.604 ' N ' ' ND2' ' A' ' 139' ' ' ASN . 0.0 OUTLIER 37.51 41.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER 71.64 87.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER 68.88 -62.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.831 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER 76.96 170.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.712 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -20.17 123.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.611 ' HG2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -140.78 115.48 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.73 -169.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -140.14 12.31 2.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 148' ' ' THR . 1.9 m-20 72.53 146.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' LYS . 1.1 m 65.66 102.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 151' ' ' GLU . 4.9 mm-40 66.26 -68.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -53.29 86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 145' ' ' LYS . 2.3 mp0 -132.01 113.21 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 144' ' ' LYS . 12.1 mmtt -124.03 110.77 15.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.552 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -102.14 123.79 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.831 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.17 -115.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 154' ' ' LEU . 3.0 ptm85 -98.07 166.15 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 157' ' ' VAL . 3.6 t70 76.89 1.08 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -34.87 -87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.853 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 26.11 -90.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 157' ' ' VAL . 5.3 m-20 -84.44 -55.12 4.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.78 -55.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.09 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -64.21 -69.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.9 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' ARG . 33.2 m-80 -62.75 -77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.748 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -49.16 -54.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 tm-20 -34.76 -52.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.86 -22.04 26.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 164' ' ' ILE . 6.8 tptt -67.47 -79.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 135.11 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 120.24 -82.99 0.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 171' ' ' GLU . 3.4 ptt? -49.7 -36.23 24.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 170' ' ' MET . 5.1 tp10 -63.6 -70.65 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -41.76 -36.92 1.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.0 -60.89 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -54.17 -32.04 54.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 5.5 ttpt -60.32 -69.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.3 ttp -55.32 -27.6 48.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 111.071 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.51 -84.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 179' ' ' ALA . 4.4 mm-40 48.15 29.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 178' ' ' GLU . . . 177.78 107.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 134.07 179.7 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.94 138.51 45.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' MET . 39.7 t -64.35 -57.31 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -39.3 -30.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -80.37 -61.32 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.42 -37.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' ARG . 1.4 tp -75.96 -52.68 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -38.5 -52.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -72.17 -47.5 50.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -39.84 -32.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.5 OUTLIER -97.51 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' GLN . 1.4 tptm -40.0 -56.43 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.599 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 5.1 pt20 -30.55 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.788 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 40.35 90.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.72 107.4 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.455 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.97 151.58 38.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -1.09 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.77 154.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.4 m 75.28 68.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 51.13 70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 2.0 mp0 -135.87 150.43 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -136.2 114.15 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.534 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.07 111.7 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.49 -157.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.791 ' O ' HG12 ' A' ' 157' ' ' VAL . 36.3 ptt180 -79.38 -34.36 42.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.627 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -48.41 -55.66 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.13 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 31.43 -96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.82 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 33.33 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -82.93 -59.38 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.89 -51.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.025 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.13 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.3 ttt180 -61.88 -69.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.79 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 34.7 m-20 -65.73 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.874 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.2 pp -54.83 -60.14 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.1 -46.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 5.4 tp10 -70.91 -80.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -38.23 -37.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 164' ' ' ILE . 47.7 m -65.21 143.01 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.29 -82.63 1.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 11.1 mtp -47.86 -63.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.26 -44.47 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 175' ' ' LYS . . . -59.16 -71.96 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.14 -31.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 18.6 mmtt -68.97 -44.59 72.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.465 ' HE2' ' CA ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -77.62 -7.5 56.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.5 ttp -84.75 -54.0 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 2.4 p90 -76.69 -37.43 56.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.488 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 9.5 tt0 34.14 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -144.96 -46.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -94.56 100.83 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -138.67 125.91 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.8 tptt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' C ' ' N ' ' A' ' 134' ' ' MET . 54.4 t -66.03 -57.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -39.46 -29.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.458 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -80.52 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -44.13 -41.24 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.48 -54.5 9.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -41.73 -51.86 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.73 -54.88 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -43.24 -37.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tp -71.75 -49.26 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.739 ' O ' HG12 ' A' ' 143' ' ' VAL . 3.9 tptm -93.06 -115.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.804 ' N ' HD13 ' A' ' 154' ' ' LEU . 2.6 pp0? 36.63 30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.8 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.2 p 161.65 111.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.66 113.3 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 15.3 pttm -161.35 177.16 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 5.5 tt0 -137.08 -71.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.6 m-20 155.93 177.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.6 OUTLIER 70.98 -58.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -173.87 73.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.419 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -175.55 97.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.7 OUTLIER -132.94 83.14 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.9 116.8 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -95.03 149.26 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 142' ' ' GLN . 2.7 tp -71.18 -134.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.565 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.2 ptt180 -108.46 -40.84 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLY . 39.4 t0 -57.65 -48.4 79.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.118 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER 35.47 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.91 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 30.34 -96.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -81.32 -51.56 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.8 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -42.5 -60.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.118 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.5 ttm180 -57.1 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.49 -51.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.9 m-20 -58.57 -72.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.717 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -57.95 -54.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -29.09 -55.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.542 ' CG ' ' N ' ' A' ' 167' ' ' LYS . 4.2 pt-20 -80.17 -48.86 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' A' ' 166' ' ' GLU . 8.1 mttt -49.06 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.55 110.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 138.02 -94.03 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.3 ptp -59.11 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 1.0 OUTLIER -73.88 -31.25 63.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 176' ' ' MET . . . -77.56 -38.67 27.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -73.87 -37.75 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -72.89 -39.07 66.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 171' ' ' GLU . 0.6 OUTLIER -77.74 -21.86 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.474 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 2.7 tpp -74.02 -60.93 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.8 OUTLIER -68.92 -32.85 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.5 OUTLIER 39.28 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.712 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -166.05 70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 135.99 120.98 2.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -161.69 112.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' N ' ' A' ' 134' ' ' MET . 71.1 t -57.68 -59.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -39.31 -29.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.452 ' N ' ' C ' ' A' ' 132' ' ' VAL . 4.0 tmm? -78.11 -53.53 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.24 -39.66 45.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.88 -52.79 18.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -63.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -54.83 -45.34 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.3 t30 -39.62 -63.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -76.62 -74.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -44.42 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.543 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -160.66 119.19 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.868 HG23 ' CH2' ' A' ' 160' ' ' TRP . 1.2 p 39.67 89.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 5.0 ptmt -116.16 104.73 11.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.3 OUTLIER -152.69 160.58 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.414 ' CB ' ' HD2' ' A' ' 150' ' ' LYS . 0.6 OUTLIER -132.52 6.09 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' A' ' 148' ' ' THR . 8.9 m-20 64.18 -177.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.4 OUTLIER 77.55 -53.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 148' ' ' THR . 1.6 mt-10 178.33 52.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.414 ' HD2' ' CB ' ' A' ' 146' ' ' GLU . 1.6 ptpt -165.16 108.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.8 mp0 -139.98 88.48 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 20.1 mttt -87.36 109.07 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.617 ' CG ' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.941 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.17 179.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 157' ' ' VAL . 1.1 tpp180 -57.3 -64.87 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' HD11 ' A' ' 154' ' ' LEU . 4.4 t0 -60.76 61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.807 HG13 ' HB2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -83.52 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 22.86 -102.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.595 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -72.64 -67.47 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.763 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.868 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -25.72 -48.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.807 ' HB2' HG13 ' A' ' 157' ' ' VAL . 1.6 ttt180 -63.79 -72.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -23.55 -49.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.4 m-20 -58.62 -73.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.822 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -58.66 -54.98 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.4 tt0 -28.93 -55.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 170' ' ' MET . 1.3 tp10 -70.33 -59.48 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -90.3 66.78 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 17.0 p -147.28 -57.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -97.55 -78.47 1.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 166' ' ' GLU . 17.7 ptm -37.37 -39.58 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.61 -68.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -39.19 -40.41 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.81 -70.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -43.04 -32.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 7.9 ttpt -63.13 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 10.0 ptp -55.53 -17.3 5.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -82.69 -83.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 40.3 72.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -46.93 -61.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 175.29 -122.55 0.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.34 121.5 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 132' ' ' VAL . 10.1 p 32.36 87.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.559 ' C ' ' O ' ' A' ' 132' ' ' VAL . 1.2 p30 26.51 49.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 135' ' ' ASP . 9.2 mmt 57.89 79.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.547 ' C ' ' O ' ' A' ' 134' ' ' MET . 3.5 m-20 27.19 54.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.1 tp 44.73 67.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 4.3 mpt_? 55.72 19.39 3.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . . . 69.11 82.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.564 ' N ' ' ND2' ' A' ' 139' ' ' ASN . 0.2 OUTLIER 38.42 43.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.7 mp 67.74 83.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.854 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 74.62 -59.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.66 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.2 OUTLIER 77.44 164.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.853 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -16.75 121.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.517 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -142.71 148.21 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 5.8 pttp 176.13 -176.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.407 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 0.9 OUTLIER -125.42 0.91 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' A' ' 148' ' ' THR . 0.2 OUTLIER 62.53 -163.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 149' ' ' GLU . 1.3 m 67.77 -58.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 148' ' ' THR . 4.3 pt-20 179.61 50.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -163.46 110.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.475 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.7 mp0 -112.13 158.49 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -145.83 113.93 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.17 138.44 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.854 HD12 ' HE2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -99.81 -170.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -23.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.525 ' CB ' HD23 ' A' ' 154' ' ' LEU . 6.6 t70 -69.51 -1.86 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -32.83 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.02 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 157' ' ' VAL . 62.0 m-20 -85.02 -54.32 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.47 -51.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -64.02 -69.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.79 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 161' ' ' ARG . 9.4 m-20 -66.9 -74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.921 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 pp -54.72 -60.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.6 tp10 -36.33 -51.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 2.0 tp10 -61.14 -55.24 34.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -157.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.2 m 72.29 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.94 -79.68 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.95 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -46.7 -43.14 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.12 -35.06 86.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 176' ' ' MET . 1.3 tpm_? -76.32 -65.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.33 -36.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -78.06 -42.85 30.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 173' ' ' ARG . 11.7 tpt -50.01 -59.37 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -72.31 -39.13 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 16.4 tt0 57.79 144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.624 ' CB ' ' CE2' ' A' ' 177' ' ' PHE . . . 179.83 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -140.91 128.18 3.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.95 148.55 36.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 69.4 t -54.99 -60.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -38.97 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.9 tpt -78.31 -50.76 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -55.72 -34.48 65.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -47.93 31.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.43 -57.81 9.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -62.36 -43.76 98.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 135' ' ' ASP . 0.6 OUTLIER -40.94 -59.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mp -74.69 -72.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 15.3 tptm -71.01 122.97 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.645 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -174.86 34.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.921 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -172.13 112.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.52 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 9.4 pttt -155.57 139.09 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 177.47 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.4 OUTLIER -115.95 -54.84 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.4 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 149' ' ' GLU . 6.6 t -129.7 135.0 47.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 148' ' ' THR . 2.9 tt0 71.82 -48.32 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -73.99 56.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.575 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.2 tm-20 -103.5 125.01 49.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -107.81 101.45 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.568 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.23 125.2 48.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' ' 142' ' ' GLN . 6.6 mp -91.42 -169.0 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.88 -46.47 90.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -69.55 48.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.917 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -76.3 -69.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.786 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 26.94 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 160' ' ' TRP . 94.7 m-20 -80.51 -61.12 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -29.95 -46.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.917 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -70.27 -69.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.2 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.2 m-20 -64.93 -72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.845 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -56.64 -57.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 161' ' ' ARG . 19.3 tp10 -34.11 -51.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -68.62 -78.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.497 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.26 -31.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 164' ' ' ILE . 48.5 t -66.78 134.03 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.35 -63.75 1.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.63 -32.18 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.15 -42.62 59.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.49 84.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -53.97 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 0.807 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -56.08 -30.3 61.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -38.76 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.6 -52.65 59.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.887 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.8 OUTLIER -81.6 -35.34 30.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.596 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 61.9 tt0 34.31 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.887 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -143.06 -61.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -67.6 80.55 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -164.48 97.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.483 ' CE ' ' SD ' ' A' ' 134' ' ' MET . 2.0 tttp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 133' ' ' ASN . 96.4 t -57.59 -48.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.84 -65.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 131' ' ' LYS . 4.7 ptm -65.85 -33.7 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.4 t0 -52.3 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.64 -55.02 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.31 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.438 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -48.82 -58.32 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -40.93 -28.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 141' ' ' LYS . 0.4 OUTLIER -88.92 -68.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 140' ' ' LEU . 16.4 ttpt -45.1 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.714 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 60.92 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.055 HG23 ' CH2' ' A' ' 160' ' ' TRP . 6.4 p 30.32 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 9.2 pttt -102.21 75.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.749 ' HD2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -106.59 143.38 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.5 OUTLIER -117.44 36.83 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 10.8 m-20 62.8 -173.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER 44.82 48.09 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 148' ' ' THR . 9.9 pt-20 49.95 48.31 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 148' ' ' THR . 4.4 mttp -115.62 37.25 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.711 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -77.92 120.93 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 2.0 mttt -108.74 107.43 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -67.43 139.12 57.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.733 ' H ' HD23 ' A' ' 154' ' ' LEU . 1.1 pt? -84.17 -129.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.67 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.78 -36.14 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 158' ' ' GLY . 27.2 t0 -55.03 -49.14 72.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.084 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.37 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.887 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.52 -97.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 160' ' ' TRP . 6.6 t70 -82.22 -56.54 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.055 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.18 -55.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.084 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.81 -70.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 161' ' ' ARG . 10.4 m-20 -61.52 -76.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.883 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -52.8 -56.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.4 tt0 -32.41 -52.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.93 -74.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -69.82 107.89 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 167' ' ' LYS . 1.7 m 154.36 -74.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -47.09 -69.74 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -23.31 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.04 -54.28 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -65.42 -29.18 74.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -71.8 -55.12 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -63.68 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.95 -25.13 40.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 11.1 tpt -70.12 -56.04 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.867 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 1.0 OUTLIER -75.09 -34.38 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.9 tt0 34.38 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.867 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -140.18 -56.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 176.99 150.67 8.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.14 110.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.1 tttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 134' ' ' MET . 54.3 t -60.39 -56.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -39.04 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.457 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -81.15 -53.32 6.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.41 -31.51 34.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.6 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -39.75 -51.85 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -67.39 -55.5 13.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.513 ' C ' ' O ' ' A' ' 138' ' ' ALA . 3.5 m-20 -31.44 -43.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.6 OUTLIER -91.03 -73.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HD2' ' CE ' ' A' ' 144' ' ' LYS . 1.6 tptm -60.28 94.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.737 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER 177.84 33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.95 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 164.32 85.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -146.73 173.87 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.526 ' HB3' ' CB ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -178.9 168.24 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.5 -0.18 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 148' ' ' THR . 4.7 m-20 67.16 160.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 1.8 m 81.38 49.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.09 53.93 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -168.8 111.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -148.87 129.5 14.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 109.23 18.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -120.76 133.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -110.85 179.88 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.702 ' O ' HG12 ' A' ' 157' ' ' VAL . 43.0 tpt85 -26.23 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.688 ' H ' HD22 ' A' ' 154' ' ' LEU . 52.0 t0 -40.88 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.919 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 33.0 -101.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.818 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 35.91 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -83.13 -58.26 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.95 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.2 -50.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.919 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -61.37 -68.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.39 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.8 m-20 -65.43 -74.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.895 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.3 pp -58.66 -57.61 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.685 ' N ' HD12 ' A' ' 164' ' ' ILE . 61.0 tt0 -34.18 -53.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 167' ' ' LYS . 13.1 tt0 -79.57 -78.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -30.16 -45.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 10.4 t -67.19 131.14 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.56 -78.79 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -36.49 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.65 -56.27 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -67.38 -44.85 83.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -57.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.777 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.473 ' C ' ' N ' ' A' ' 176' ' ' MET . 6.9 pttt -67.66 -51.59 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.492 ' CE ' ' O ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -39.19 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.473 ' N ' ' C ' ' A' ' 174' ' ' LYS . 27.0 tpp -88.75 -61.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 1.113 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -31.98 -46.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER 34.37 93.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 1.113 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -169.76 50.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 143.56 95.72 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -137.93 128.44 26.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.784 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 65.4 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' MET . 50.4 t -66.29 -55.65 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.3 OUTLIER -39.36 -30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -83.49 -53.01 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -36.54 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 137' ' ' ARG . 1.3 tp -79.63 -58.42 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -38.22 -38.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . -81.03 -53.31 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.8 t-20 -36.36 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 141' ' ' LYS . 2.9 mp -96.14 -65.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 140' ' ' LEU . 14.5 tttt -41.42 -95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 154' ' ' LEU . 0.6 OUTLIER 65.67 -173.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.841 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -32.66 99.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -124.75 126.59 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 165.13 -163.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 8.2 tp10 -121.33 -80.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 156.24 -173.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.548 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER 74.14 -57.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.548 ' N ' HG22 ' A' ' 148' ' ' THR . 1.0 OUTLIER -170.27 60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.16 102.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.651 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 pm0 -133.29 137.43 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -119.75 107.83 13.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.535 ' OD1' ' C ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -89.31 140.87 29.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -98.28 -172.98 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -50.74 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -30.87 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.914 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 64.83 -69.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.803 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.89 -103.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.581 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -76.4 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.841 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -28.84 -48.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.039 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.914 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -65.21 -70.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -25.99 -46.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 161' ' ' ARG . 43.9 m-20 -60.9 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -57.01 -54.15 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.7 tp10 -30.95 -54.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 167' ' ' LYS . 5.9 mm-40 -81.49 -56.93 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -37.54 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 p -59.63 151.37 24.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 110.43 -105.9 2.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.42 -23.49 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.82 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.54 -26.69 46.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -72.06 -54.94 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 14.2 pttt -60.68 -28.64 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.521 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.1 OUTLIER -82.61 -27.46 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.17 -50.23 61.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.893 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -82.42 -34.36 28.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER 35.21 90.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.893 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -144.42 -61.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -177.69 120.73 0.74 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.28 149.59 46.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.499 ' N ' ' CB ' ' A' ' 135' ' ' ASP . 7.2 ttpt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.59 HG12 ' H ' ' A' ' 133' ' ' ASN . 1.5 t 55.4 -151.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.59 ' H ' HG12 ' A' ' 132' ' ' VAL . 0.4 OUTLIER -66.87 -56.78 8.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.484 ' C ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -31.13 -51.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.499 ' CB ' ' N ' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -70.16 -51.21 33.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' ASN . 54.6 tp -45.53 -62.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -51.73 -58.8 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.27 -22.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.15 -34.09 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' ARG . 0.3 OUTLIER -82.72 -69.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -35.75 -34.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 141' ' ' LYS . 2.0 mm-40 -28.59 106.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 1.046 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.0 p 41.54 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.508 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 1.3 pttt -120.94 83.8 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -122.4 162.01 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.5 9.43 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 148' ' ' THR . 60.1 m-20 60.59 153.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 26.2 m 72.14 75.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 48.83 73.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.26 91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.24 99.79 3.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.508 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -89.39 113.8 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.521 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -97.04 115.51 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.743 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.76 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.624 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.5 tpt180 -68.47 -42.79 78.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.551 ' H ' HD22 ' A' ' 154' ' ' LEU . 7.7 t0 -68.96 51.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.139 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -72.91 -82.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.871 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.93 -100.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 58.5 m-20 -80.58 -51.37 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 1.046 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.6 OUTLIER -38.15 -61.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.139 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.26 -67.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.585 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.63 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.7 m-20 -61.74 -76.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.767 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -51.99 -55.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.7 tm-20 -31.9 -54.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -69.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -68.52 -151.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 172' ' ' GLY . 0.5 OUTLIER 65.64 -80.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -51.71 -72.12 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.7 mtp -42.52 -63.62 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.66 -29.53 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.467 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -68.76 -39.39 85.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -35.44 66.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 3.6 mmtt -72.28 -39.39 68.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.489 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.7 OUTLIER -79.76 -20.49 46.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.489 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 tpt -73.44 -56.77 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -75.17 -32.57 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.588 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 8.6 pt-20 38.25 85.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.542 ' HB3' ' CD2' ' A' ' 177' ' ' PHE . . . -165.55 -179.99 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 148.54 -167.93 29.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.12 135.46 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.751 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 132' ' ' VAL . 5.9 mtpt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 133' ' ' ASN . 99.9 t 32.79 -110.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.631 ' N ' HG12 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -39.15 -65.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.427 ' HA ' ' CB ' ' A' ' 137' ' ' ARG . 3.3 mtt -53.7 -37.63 63.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -49.5 -67.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -28.19 69.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 134' ' ' MET . 21.1 tpp180 -52.81 -67.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -61.12 -43.02 99.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' ALA . 62.0 m-20 -39.71 -46.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' LYS . 2.9 tp -89.47 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 142' ' ' GLN . 9.8 tptm -35.29 -62.21 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . 15.7 pt20 -30.58 136.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.87 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 p 40.8 91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 15.9 ptmt -133.38 116.51 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -118.75 125.63 50.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 150' ' ' LYS . 4.3 mt-10 -116.75 25.18 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 150' ' ' LYS . 0.2 OUTLIER 58.08 -164.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.507 HG23 ' HD3' ' A' ' 150' ' ' LYS . 5.0 t 43.33 29.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 148' ' ' THR . 1.4 mt-10 74.22 40.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -99.5 52.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 145' ' ' LYS . 1.9 mt-10 -85.02 102.29 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -110.49 112.68 24.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.556 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -102.43 130.87 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.557 ' HB3' ' HA ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER -72.27 -151.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.773 ' O ' HG12 ' A' ' 157' ' ' VAL . 4.0 ptt180 -87.61 -34.38 18.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 158' ' ' GLY . 6.6 t70 -51.9 -49.37 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.155 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.1 -94.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.873 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 37.43 -95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 157' ' ' VAL . 28.3 m-20 -85.88 -53.6 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -39.61 -57.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.155 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -63.54 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -23.22 -49.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 22.4 m-20 -62.99 -74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.782 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.9 pp -53.18 -56.15 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.5 tp10 -34.78 -51.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.77 -75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -51.75 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.412 ' C ' ' OE1' ' A' ' 151' ' ' GLU . 37.2 m -38.22 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 107.94 -82.58 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -31.18 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 4.0 tt0 -73.09 -43.27 62.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.468 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -61.94 -37.55 94.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -42.87 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -58.82 -55.98 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -60.94 -38.4 85.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.442 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 6.7 ttt -67.83 -21.8 65.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.411 ' C ' ' N ' ' A' ' 179' ' ' ALA . 2.1 m-85 -97.78 -80.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 44.08 26.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 177' ' ' PHE . . . -170.23 150.06 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 87.2 -59.37 4.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.83 103.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' N ' ' A' ' 134' ' ' MET . 41.5 t -56.39 -58.45 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.4 OUTLIER -39.4 -29.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.452 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -78.96 -56.9 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -49.87 -47.24 52.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.01 -45.6 73.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -52.6 -48.83 66.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.3 m-20 -37.93 -41.94 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.6 OUTLIER -89.8 -65.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.2 OUTLIER -35.29 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.604 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 3.6 pt20 -30.68 145.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.66 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER 42.91 93.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 5.7 ptmt -146.76 119.49 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -149.57 160.05 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -13.29 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 1.0 OUTLIER 173.45 -173.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -40.25 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.669 ' H ' HG23 ' A' ' 148' ' ' THR . 1.6 mm-40 -45.34 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.46 88.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.483 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.4 tt0 -137.59 104.42 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -93.89 108.73 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.569 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -101.36 110.16 22.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.765 HD13 ' C ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.2 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.48 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 6.8 ttt180 -75.44 -45.33 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.627 ' H ' HD22 ' A' ' 154' ' ' LEU . 1.4 t70 -67.9 53.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 1.025 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -79.3 -74.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.843 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.1 -101.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.0 m-20 -79.91 -45.77 17.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.733 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -41.8 -59.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 1.025 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -61.01 -68.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.96 -45.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.2 m-20 -62.97 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.733 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -57.21 -58.1 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.544 ' HB2' ' CD ' ' A' ' 161' ' ' ARG . 4.3 tp10 -32.33 -53.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.32 -71.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 65.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.0 t -153.44 -54.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -71.98 -78.89 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 9.8 mtt -52.04 -58.93 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 175' ' ' LYS . 1.4 tp10 -53.02 -34.91 58.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.84 77.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -63.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.43 -42.76 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LYS . . . . . 0.428 ' CE ' ' N ' ' A' ' 176' ' ' MET . 1.7 ttpt -56.93 -56.29 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' MET . . . . . 0.428 ' N ' ' CE ' ' A' ' 175' ' ' LYS . 12.0 ttt -62.11 -17.17 56.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.08 -83.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 179' ' ' ALA . 11.0 pt-20 39.02 54.69 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . -40.47 105.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 161.11 -69.14 0.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 60.69 90.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 154' ' ' LEU . 6.6 tptt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.66 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -156.16 -171.23 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.955 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -37.53 109.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -131.48 110.08 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.427 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -151.96 150.99 30.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 147' ' ' ASP . 6.8 tp10 -123.81 9.39 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.735 ' O ' HG22 ' A' ' 148' ' ' THR . 0.9 OUTLIER 55.38 168.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 83.39 36.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 148' ' ' THR . 5.2 mm-40 72.5 50.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -163.39 88.63 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.427 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mp0 -125.07 147.47 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 11.2 mttm -131.26 110.53 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -90.85 119.61 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -61.88 -172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -68.56 -34.24 75.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -53.86 -51.69 62.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.99 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 33.26 -94.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.902 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.54 -96.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.7 m-20 -82.71 -56.98 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.955 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.06 -54.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.99 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.34 -68.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.11 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 25.6 m-80 -64.78 -75.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.899 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.4 pp -53.42 -58.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tm-20 -33.02 -53.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 10.6 tp10 -73.06 -63.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 166' ' ' GLU . 7.8 mttp -39.24 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 29.2 t -39.57 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 75.91 -83.92 0.92 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 8.4 mtp -52.58 -55.85 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.84 -32.04 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.465 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -65.65 -37.98 94.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -40.13 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -59.51 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -59.81 -39.07 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.427 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 ttt -65.9 -24.34 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.6 m-85 -96.26 -80.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 177' ' ' PHE . 4.1 pt-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 142' ' ' GLN . 4.7 ptmt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.629 ' C ' HG13 ' A' ' 143' ' ' VAL . 1.2 mm-40 53.69 110.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.651 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.8 OUTLIER 52.68 106.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.529 ' CG ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -137.2 116.98 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -150.3 179.3 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -132.35 7.32 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 150' ' ' LYS . 19.6 m-20 59.6 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.502 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 13.5 m 74.23 69.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 51.13 73.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 148' ' ' THR . 2.0 ptmt 172.93 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.517 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.9 mp0 -130.63 148.2 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' HB3' ' CE ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -132.47 112.23 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.798 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -106.67 126.47 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.945 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.7 -85.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 167.21 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t70 71.13 3.2 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -32.58 -89.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 25.18 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 157' ' ' VAL . 17.2 m-20 -83.65 -56.06 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.38 -53.08 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -66.03 -69.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.57 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.4 m-20 -62.58 -73.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.754 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -55.99 -56.82 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 tm-20 -34.58 -51.8 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 8.3 tp10 -75.19 -68.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -72.59 68.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 66.4 m -168.6 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.14 -83.49 0.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.8 mtt -38.1 -68.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.77 -39.32 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.47 -60.09 9.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -45.26 87.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -57.86 -29.91 65.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -79.83 -31.94 40.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.456 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.6 ttp -63.28 -57.37 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.608 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 0.9 OUTLIER -73.63 -34.27 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.2 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.684 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -172.09 28.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.731 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.6 OUTLIER 166.89 116.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.528 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -143.17 146.6 33.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.408 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 7.7 pttm -173.33 167.04 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -134.83 8.98 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 148' ' ' THR . 9.7 m-20 56.79 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 2.5 m 82.57 40.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.92 58.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.37 82.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.7 mp0 -115.15 117.13 29.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.528 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -88.95 111.55 22.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.686 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -92.82 119.4 32.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.91 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -65.03 175.52 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.555 ' N ' HD22 ' A' ' 154' ' ' LEU . 3.6 ttt-85 -48.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' A' ' 155' ' ' ARG . 37.6 t0 -28.7 -88.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.922 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t 72.1 -72.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.848 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 29.03 -103.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 160' ' ' TRP . 36.4 m-20 -80.81 -58.18 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.99 -40.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.922 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 ttt180 -71.24 -65.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -30.04 -41.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -67.56 -75.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.808 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -51.7 -59.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.493 ' CG ' ' CD ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -36.98 -50.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.23 -75.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -42.23 -48.66 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.1 p -46.0 111.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.41 -67.87 0.22 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 12.9 ptm -59.86 -30.91 69.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.73 -57.26 12.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.82 -52.45 33.51 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -44.58 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 176' ' ' MET . 31.5 mttm -76.78 -52.48 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -28.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 177' ' ' PHE . 4.4 ttt -95.14 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.38 -45.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.65 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.485 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.782 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 55.33 -169.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.854 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -33.53 104.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.485 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -131.44 119.03 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.477 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 1.4 pttp -145.1 163.52 34.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.7 tt0 -114.35 -25.94 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 5.7 m-20 155.42 -171.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 147' ' ' ASP . 12.8 t -31.82 132.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 151' ' ' GLU . 33.0 mt-10 70.23 -56.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.08 79.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 2.4 mt-10 -131.59 105.91 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 2.4 mttt -92.06 111.23 22.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -94.09 121.55 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -66.64 -147.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.69 -28.12 18.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 157' ' ' VAL . 24.1 t70 -67.48 2.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.975 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -27.71 -91.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.881 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 24.62 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 157' ' ' VAL . 14.1 t70 -82.36 -59.44 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.887 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.92 -53.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.975 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.7 OUTLIER -60.39 -70.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.51 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 161' ' ' ARG . 23.6 m-20 -63.19 -73.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.887 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -55.89 -58.16 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -36.97 -46.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 167' ' ' LYS . 25.3 mt-10 -67.5 -79.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 166' ' ' GLU . 3.3 ptmm? -38.86 -47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 167' ' ' LYS . 9.8 t -38.91 -67.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.43 -43.53 90.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.0 mtp -55.2 -52.61 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -54.08 -30.7 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -73.01 -43.45 40.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -34.44 77.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -72.41 -43.6 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.408 ' HE2' ' CA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -75.87 -14.88 60.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.408 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 9.2 ttt -79.3 -62.38 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.1 p90 -68.53 -34.33 75.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.428 ' HE3' ' CD ' ' A' ' 144' ' ' LYS . 4.6 ttpt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 63.19 145.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.774 HG23 ' HH2' ' A' ' 160' ' ' TRP . 4.4 p 36.65 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.54 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 13.2 pttt -118.7 123.94 46.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.2 pttm -174.77 168.47 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 148' ' ' THR . 2.6 mt-10 178.39 37.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER 61.79 -72.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.57 ' N ' ' O ' ' A' ' 146' ' ' GLU . 1.4 t -42.82 -53.61 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.537 ' N ' ' CG2' ' A' ' 148' ' ' THR . 24.7 mm-40 -86.76 -1.5 57.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER 71.06 -157.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.0 mt-10 -99.81 136.6 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.54 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 39.5 mttt -132.5 106.09 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -88.35 89.3 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 155' ' ' ARG . 0.0 OUTLIER -64.0 -153.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.822 ' N ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.02 172.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.3 t70 71.88 4.27 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.06 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.22 -90.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.857 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 27.52 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 157' ' ' VAL . 1.5 m-20 -83.47 -59.13 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.774 ' HH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.32 -48.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.06 ' CB ' HG23 ' A' ' 157' ' ' VAL . 8.3 tmm_? -64.06 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -31.97 -41.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 22.7 m-20 -65.37 -78.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.691 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 0.6 OUTLIER -47.56 -56.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 161' ' ' ARG . 2.2 tp10 -38.89 -49.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.8 -75.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -44.68 -71.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 164' ' ' ILE . 0.4 OUTLIER -67.8 127.36 32.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 134.96 -118.22 1.9 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -38.54 -35.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.784 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.59 -69.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -42.74 -38.31 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -44.02 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.504 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.45 -39.32 72.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -30.15 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 4.5 tpt -64.23 -60.3 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -71.59 -34.86 70.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.923 ' HG3' HG12 ' A' ' 143' ' ' VAL . 0.1 OUTLIER 68.48 24.73 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.073 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 p 165.87 98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -153.98 152.52 30.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.496 ' CD ' ' C ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -179.52 173.27 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.9 OUTLIER -118.96 -73.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER 160.05 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.6 p -68.8 60.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 72.3 3.0 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 2.1 mmtt -84.55 110.7 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.4 ' CD ' ' CB ' ' A' ' 168' ' ' SER . 1.5 mt-10 -137.33 97.24 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -91.89 101.08 13.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.777 ' OD2' HG21 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.34 157.06 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.869 HD13 ' CA ' ' A' ' 142' ' ' GLN . 6.7 tt -122.15 159.28 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -30.69 -60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.773 ' H ' HD23 ' A' ' 154' ' ' LEU . 13.6 t70 -39.4 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.942 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 58.05 -78.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.69 -101.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -79.29 -53.66 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.073 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -37.98 -58.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 107.996 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.942 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -59.41 -73.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.08 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -57.01 -72.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.759 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.4 pp -60.76 -54.44 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.641 ' N ' HD12 ' A' ' 164' ' ' ILE . 5.8 tp10 -28.14 -54.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.28 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.53 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER 177.14 -75.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -99.84 -47.74 1.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 33.4 mtt -54.66 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -35.16 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.27 -49.53 56.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -54.16 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.84 -41.17 95.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 4.2 ttpt -48.57 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 4.1 ttt -58.76 -47.23 85.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.9 m-85 -53.98 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' PHE . 9.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.515 ' CE ' ' CB ' ' A' ' 154' ' ' LEU . 3.9 ttpm? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.539 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 59.34 136.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 160' ' ' TRP . 3.1 p 29.03 95.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.477 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 5.8 pttt -109.95 82.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.517 ' HD3' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -123.34 159.41 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.489 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 3.4 tt0 -121.35 -0.66 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 148' ' ' THR . 0.1 OUTLIER 69.26 177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 82.97 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 148' ' ' THR . 0.5 OUTLIER 162.51 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -153.43 114.06 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mt-10 -141.82 95.03 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 11.7 mttm -85.12 121.39 27.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.726 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.27 115.44 27.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.67 176.54 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 154' ' ' LEU . 11.2 tpt85 -32.15 -70.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.547 ' O ' ' HD1' ' A' ' 160' ' ' TRP . 17.6 t70 -57.01 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.887 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -120.87 -68.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.79 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 33.01 -118.59 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -70.56 -56.21 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.794 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -31.12 -50.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.887 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -64.54 -67.32 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -27.63 -43.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.7 m-80 -64.9 -75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.794 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -51.87 -54.45 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.0 tp10 -37.24 -51.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 162' ' ' LYS . 1.2 mm-40 -65.88 -77.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.495 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 10.5 ptmt -39.65 -59.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 164' ' ' ILE . 43.3 t -48.07 161.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 73.52 -89.32 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -40.41 -34.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -61.35 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.72 -43.64 91.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -53.31 2.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 176' ' ' MET . 5.0 mttt -73.64 -48.08 35.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.52 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.5 -28.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.504 ' O ' ' C ' ' A' ' 177' ' ' PHE . 43.5 tpp -98.86 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -29.27 -47.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.648 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 5.0 mt-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.486 ' CD ' ' HD3' ' A' ' 144' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.783 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -170.73 28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.068 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 168.18 125.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.53 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -165.65 160.97 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 175.56 149.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -116.43 -2.31 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 2.1 m-20 70.4 157.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.464 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 2.8 m 64.67 81.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 150' ' ' LYS . 5.2 mm-40 48.39 69.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 1.4 ptmt 169.87 85.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 1.1 mt-10 -126.87 114.96 18.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.53 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 2.6 mmtt -87.05 110.54 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.526 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.3 OUTLIER -116.44 115.34 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.677 ' HG ' ' CA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -74.37 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.594 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -35.07 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.32 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.594 ' C ' ' O ' ' A' ' 155' ' ' ARG . 32.4 t0 -22.48 -78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.908 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 61.43 -73.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.825 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 28.49 -102.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.5 m-20 -79.52 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.068 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -31.85 -50.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.026 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.908 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.55 -70.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.77 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.7 m-20 -61.06 -72.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.765 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -57.99 -54.22 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.3 tp10 -31.91 -54.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.61 -68.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -72.37 97.32 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 169' ' ' GLY . 78.9 p -178.74 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -80.85 -86.69 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.9 mtm -40.3 -70.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 9.4 tp10 -48.78 -23.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 169' ' ' GLY . . . -74.28 -46.91 19.02 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -34.55 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.5 mttm -73.81 -43.33 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.414 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.414 ' N ' ' HE2' ' A' ' 175' ' ' LYS . 5.0 ttt -79.05 -61.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -69.46 -33.39 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.831 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.4 OUTLIER 76.96 170.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.712 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -20.17 123.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.611 ' HG2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -140.78 115.48 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.573 ' N ' ' CD ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.73 -169.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -140.14 12.31 2.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 148' ' ' THR . 1.9 m-20 72.53 146.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' LYS . 1.1 m 65.66 102.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 151' ' ' GLU . 4.9 mm-40 66.26 -68.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -53.29 86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 145' ' ' LYS . 2.3 mp0 -132.01 113.21 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 144' ' ' LYS . 12.1 mmtt -124.03 110.77 15.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.552 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -102.14 123.79 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.831 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.17 -115.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 154' ' ' LEU . 3.0 ptm85 -98.07 166.15 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 157' ' ' VAL . 3.6 t70 76.89 1.08 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -34.87 -87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.853 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 26.11 -90.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 157' ' ' VAL . 5.3 m-20 -84.44 -55.12 4.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.78 -55.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.09 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -64.21 -69.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.9 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' ARG . 33.2 m-80 -62.75 -77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.748 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -49.16 -54.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 tm-20 -34.76 -52.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.86 -22.04 26.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 164' ' ' ILE . 6.8 tptt -67.47 -79.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 135.11 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 120.24 -82.99 0.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 171' ' ' GLU . 3.4 ptt? -49.7 -36.23 24.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 170' ' ' MET . 5.1 tp10 -63.6 -70.65 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -41.76 -36.92 1.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.0 -60.89 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -54.17 -32.04 54.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 5.5 ttpt -60.32 -69.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.3 ttp -55.32 -27.6 48.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 111.071 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.51 -84.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' GLN . 1.4 tptm . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.599 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 5.1 pt20 -30.55 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.788 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 40.35 90.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.72 107.4 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.455 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.97 151.58 38.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -1.09 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.77 154.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.4 m 75.28 68.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 51.13 70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 2.0 mp0 -135.87 150.43 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -136.2 114.15 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.534 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.07 111.7 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.49 -157.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.791 ' O ' HG12 ' A' ' 157' ' ' VAL . 36.3 ptt180 -79.38 -34.36 42.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.627 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -48.41 -55.66 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.13 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 31.43 -96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.82 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 33.33 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -82.93 -59.38 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.89 -51.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.025 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.13 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.3 ttt180 -61.88 -69.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.79 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 34.7 m-20 -65.73 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.874 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.2 pp -54.83 -60.14 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.1 -46.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 5.4 tp10 -70.91 -80.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -38.23 -37.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 164' ' ' ILE . 47.7 m -65.21 143.01 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.29 -82.63 1.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 11.1 mtp -47.86 -63.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.26 -44.47 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 175' ' ' LYS . . . -59.16 -71.96 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.14 -31.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 18.6 mmtt -68.97 -44.59 72.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -77.62 -7.5 56.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.5 ttp -84.75 -54.0 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 2.4 p90 -76.69 -37.43 56.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.488 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 9.5 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.739 ' O ' HG12 ' A' ' 143' ' ' VAL . 3.9 tptm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.804 ' N ' HD13 ' A' ' 154' ' ' LEU . 2.6 pp0? 36.63 30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.8 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.2 p 161.65 111.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.66 113.3 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 15.3 pttm -161.35 177.16 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 5.5 tt0 -137.08 -71.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.6 m-20 155.93 177.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.6 OUTLIER 70.98 -58.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -173.87 73.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.419 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -175.55 97.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.7 OUTLIER -132.94 83.14 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.9 116.8 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -95.03 149.26 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 142' ' ' GLN . 2.7 tp -71.18 -134.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.565 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.2 ptt180 -108.46 -40.84 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLY . 39.4 t0 -57.65 -48.4 79.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.118 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER 35.47 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.91 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 30.34 -96.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -81.32 -51.56 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.8 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -42.5 -60.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.118 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.5 ttm180 -57.1 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.49 -51.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.9 m-20 -58.57 -72.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.717 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -57.95 -54.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -29.09 -55.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.542 ' CG ' ' N ' ' A' ' 167' ' ' LYS . 4.2 pt-20 -80.17 -48.86 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' A' ' 166' ' ' GLU . 8.1 mttt -49.06 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.55 110.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 138.02 -94.03 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.3 ptp -59.11 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 1.0 OUTLIER -73.88 -31.25 63.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 176' ' ' MET . . . -77.56 -38.67 27.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -73.87 -37.75 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -72.89 -39.07 66.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 171' ' ' GLU . 0.6 OUTLIER -77.74 -21.86 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.474 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 2.7 tpp -74.02 -60.93 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 0.8 OUTLIER -68.92 -32.85 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.6 tttm . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.543 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -160.66 119.19 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.868 HG23 ' CH2' ' A' ' 160' ' ' TRP . 1.2 p 39.67 89.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 5.0 ptmt -116.16 104.73 11.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.3 OUTLIER -152.69 160.58 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.414 ' CB ' ' HD2' ' A' ' 150' ' ' LYS . 0.6 OUTLIER -132.52 6.09 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' A' ' 148' ' ' THR . 8.9 m-20 64.18 -177.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.4 OUTLIER 77.55 -53.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 148' ' ' THR . 1.6 mt-10 178.33 52.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.414 ' HD2' ' CB ' ' A' ' 146' ' ' GLU . 1.6 ptpt -165.16 108.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.8 mp0 -139.98 88.48 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 20.1 mttt -87.36 109.07 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.617 ' CG ' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.941 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.17 179.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 157' ' ' VAL . 1.1 tpp180 -57.3 -64.87 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' HD11 ' A' ' 154' ' ' LEU . 4.4 t0 -60.76 61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.807 HG13 ' HB2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -83.52 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 22.86 -102.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.595 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -72.64 -67.47 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.763 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.868 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -25.72 -48.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.807 ' HB2' HG13 ' A' ' 157' ' ' VAL . 1.6 ttt180 -63.79 -72.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -23.55 -49.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.4 m-20 -58.62 -73.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.822 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -58.66 -54.98 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.4 tt0 -28.93 -55.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 170' ' ' MET . 1.3 tp10 -70.33 -59.48 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -90.3 66.78 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 17.0 p -147.28 -57.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -97.55 -78.47 1.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 166' ' ' GLU . 17.7 ptm -37.37 -39.58 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.61 -68.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -39.19 -40.41 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.81 -70.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -43.04 -32.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 7.9 ttpt -63.13 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 10.0 ptp -55.53 -17.3 5.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -82.69 -83.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.854 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.66 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.4 OUTLIER 77.44 164.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.853 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -16.75 121.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.517 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -142.71 148.21 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 5.8 pttp 176.13 -176.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.407 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 0.9 OUTLIER -125.42 0.91 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' A' ' 148' ' ' THR . 0.2 OUTLIER 62.53 -163.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 149' ' ' GLU . 1.3 m 67.77 -58.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 148' ' ' THR . 4.3 pt-20 179.61 50.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -163.46 110.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.475 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.7 mp0 -112.13 158.49 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -145.83 113.93 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.545 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.17 138.44 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.854 HD12 ' HE2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -99.81 -170.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -23.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.525 ' CB ' HD23 ' A' ' 154' ' ' LEU . 6.6 t70 -69.51 -1.86 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -32.83 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.02 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 157' ' ' VAL . 62.0 m-20 -85.02 -54.32 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.47 -51.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -64.02 -69.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.79 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 161' ' ' ARG . 9.4 m-20 -66.9 -74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.921 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 pp -54.72 -60.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.6 tp10 -36.33 -51.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 2.0 tp10 -61.14 -55.24 34.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -157.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.2 m 72.29 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.94 -79.68 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.95 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -46.7 -43.14 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.12 -35.06 86.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 176' ' ' MET . 1.3 tpm_? -76.32 -65.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.33 -36.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -78.06 -42.85 30.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 173' ' ' ARG . 11.7 tpt -50.01 -59.37 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 174' ' ' LYS . 0.9 OUTLIER -72.31 -39.13 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 16.4 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 15.3 tptm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.645 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -174.86 34.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.921 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -172.13 112.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.52 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 9.4 pttt -155.57 139.09 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 177.47 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.4 OUTLIER -115.95 -54.84 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.4 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 149' ' ' GLU . 6.6 t -129.7 135.0 47.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 148' ' ' THR . 2.9 tt0 71.82 -48.32 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -73.99 56.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.575 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.2 tm-20 -103.5 125.01 49.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -107.81 101.45 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.568 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.23 125.2 48.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' ' 142' ' ' GLN . 6.6 mp -91.42 -169.0 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.88 -46.47 90.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -69.55 48.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.917 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -76.3 -69.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.786 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 26.94 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 160' ' ' TRP . 94.7 m-20 -80.51 -61.12 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -29.95 -46.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.917 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -70.27 -69.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.2 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.2 m-20 -64.93 -72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.845 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -56.64 -57.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 161' ' ' ARG . 19.3 tp10 -34.11 -51.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -68.62 -78.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.497 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.26 -31.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 164' ' ' ILE . 48.5 t -66.78 134.03 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.35 -63.75 1.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.63 -32.18 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.15 -42.62 59.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.49 84.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -53.97 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 0.807 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -56.08 -30.3 61.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -38.76 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.6 -52.65 59.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -81.6 -35.34 30.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.596 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 61.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 16.4 ttpt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.714 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 60.92 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.055 HG23 ' CH2' ' A' ' 160' ' ' TRP . 6.4 p 30.32 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 9.2 pttt -102.21 75.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.749 ' HD2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -106.59 143.38 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.5 OUTLIER -117.44 36.83 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 10.8 m-20 62.8 -173.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER 44.82 48.09 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 148' ' ' THR . 9.9 pt-20 49.95 48.31 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 148' ' ' THR . 4.4 mttp -115.62 37.25 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.711 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -77.92 120.93 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 2.0 mttt -108.74 107.43 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -67.43 139.12 57.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 154' ' ' LEU . 1.1 pt? -84.17 -129.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.67 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.78 -36.14 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 158' ' ' GLY . 27.2 t0 -55.03 -49.14 72.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.084 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.37 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.887 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.52 -97.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 160' ' ' TRP . 6.6 t70 -82.22 -56.54 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.055 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.18 -55.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.084 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.81 -70.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 161' ' ' ARG . 10.4 m-20 -61.52 -76.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.883 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -52.8 -56.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.4 tt0 -32.41 -52.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.93 -74.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -69.82 107.89 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 167' ' ' LYS . 1.7 m 154.36 -74.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -47.09 -69.74 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -23.31 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.04 -54.28 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -65.42 -29.18 74.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -71.8 -55.12 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -63.68 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.459 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.95 -25.13 40.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 11.1 tpt -70.12 -56.04 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 174' ' ' LYS . 1.0 OUTLIER -75.09 -34.38 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HD2' ' CE ' ' A' ' 144' ' ' LYS . 1.6 tptm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.737 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER 177.84 33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.95 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 164.32 85.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -146.73 173.87 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.526 ' HB3' ' CB ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -178.9 168.24 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.5 -0.18 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 148' ' ' THR . 4.7 m-20 67.16 160.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 1.8 m 81.38 49.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.09 53.93 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -168.8 111.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -148.87 129.5 14.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 109.23 18.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -120.76 133.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -110.85 179.88 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.702 ' O ' HG12 ' A' ' 157' ' ' VAL . 43.0 tpt85 -26.23 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.688 ' H ' HD22 ' A' ' 154' ' ' LEU . 52.0 t0 -40.88 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.919 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 33.0 -101.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.818 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 35.91 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -83.13 -58.26 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.95 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.2 -50.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.919 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -61.37 -68.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.39 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.8 m-20 -65.43 -74.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.895 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.3 pp -58.66 -57.61 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.685 ' N ' HD12 ' A' ' 164' ' ' ILE . 61.0 tt0 -34.18 -53.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 167' ' ' LYS . 13.1 tt0 -79.57 -78.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -30.16 -45.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 10.4 t -67.19 131.14 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.56 -78.79 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -36.49 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.65 -56.27 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -67.38 -44.85 83.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -57.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.777 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.473 ' C ' ' N ' ' A' ' 176' ' ' MET . 6.9 pttt -67.66 -51.59 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -39.19 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.473 ' N ' ' C ' ' A' ' 174' ' ' LYS . 27.0 tpp -88.75 -61.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.632 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -31.98 -46.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 154' ' ' LEU . 0.6 OUTLIER 65.67 -173.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.841 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -32.66 99.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -124.75 126.59 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 165.13 -163.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 8.2 tp10 -121.33 -80.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 156.24 -173.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.548 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER 74.14 -57.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.548 ' N ' HG22 ' A' ' 148' ' ' THR . 1.0 OUTLIER -170.27 60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.16 102.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.651 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 pm0 -133.29 137.43 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -119.75 107.83 13.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.535 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -89.31 140.87 29.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -98.28 -172.98 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -50.74 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -30.87 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.914 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 64.83 -69.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.803 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.89 -103.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.581 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -76.4 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.841 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -28.84 -48.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.039 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.914 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -65.21 -70.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -25.99 -46.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 161' ' ' ARG . 43.9 m-20 -60.9 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -57.01 -54.15 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.7 tp10 -30.95 -54.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 167' ' ' LYS . 5.9 mm-40 -81.49 -56.93 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -37.54 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 p -59.63 151.37 24.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 110.43 -105.9 2.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.42 -23.49 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.82 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.54 -26.69 46.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -72.06 -54.94 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 14.2 pttt -60.68 -28.64 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.521 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.1 OUTLIER -82.61 -27.46 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.17 -50.23 61.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -82.42 -34.36 28.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -28.59 106.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 1.046 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.0 p 41.54 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.508 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 1.3 pttt -120.94 83.8 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -122.4 162.01 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.5 9.43 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 148' ' ' THR . 60.1 m-20 60.59 153.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 26.2 m 72.14 75.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 48.83 73.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.26 91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.24 99.79 3.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.508 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -89.39 113.8 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.521 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -97.04 115.51 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.743 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.76 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.624 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.5 tpt180 -68.47 -42.79 78.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.551 ' H ' HD22 ' A' ' 154' ' ' LEU . 7.7 t0 -68.96 51.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.139 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -72.91 -82.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.871 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.93 -100.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 58.5 m-20 -80.58 -51.37 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 1.046 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.6 OUTLIER -38.15 -61.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.139 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.26 -67.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.585 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.63 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.7 m-20 -61.74 -76.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.767 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -51.99 -55.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.7 tm-20 -31.9 -54.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -69.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -68.52 -151.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 172' ' ' GLY . 0.5 OUTLIER 65.64 -80.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -51.71 -72.12 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.7 mtp -42.52 -63.62 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.66 -29.53 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.467 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -68.76 -39.39 85.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -35.44 66.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 3.6 mmtt -72.28 -39.39 68.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.489 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.7 OUTLIER -79.76 -20.49 46.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.489 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 tpt -73.44 -56.77 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -75.17 -32.57 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.588 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 8.6 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 142' ' ' GLN . 9.8 tptm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . 4.6 pt20 -30.58 136.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.87 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 p 40.8 91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 15.9 ptmt -133.38 116.51 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -118.75 125.63 50.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 150' ' ' LYS . 4.3 mt-10 -116.75 25.18 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 150' ' ' LYS . 0.2 OUTLIER 58.08 -164.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.507 HG23 ' HD3' ' A' ' 150' ' ' LYS . 5.0 t 43.33 29.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 148' ' ' THR . 1.4 mt-10 74.22 40.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -99.5 52.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 145' ' ' LYS . 1.9 mt-10 -85.02 102.29 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -110.49 112.68 24.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.556 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -102.43 130.87 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.557 ' HB3' ' HA ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER -72.27 -151.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.773 ' O ' HG12 ' A' ' 157' ' ' VAL . 4.0 ptt180 -87.61 -34.38 18.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 158' ' ' GLY . 6.6 t70 -51.9 -49.37 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.155 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.1 -94.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.873 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 37.43 -95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 157' ' ' VAL . 28.3 m-20 -85.88 -53.6 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -39.61 -57.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.155 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -63.54 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -23.22 -49.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 22.4 m-20 -62.99 -74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.782 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.9 pp -53.18 -56.15 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.5 tp10 -34.78 -51.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.77 -75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -51.75 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.412 ' C ' ' OE1' ' A' ' 151' ' ' GLU . 37.2 m -38.22 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 107.94 -82.58 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -31.18 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 4.0 tt0 -73.09 -43.27 62.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.468 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -61.94 -37.55 94.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -42.87 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -58.82 -55.98 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -60.94 -38.4 85.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.442 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 6.7 ttt -67.83 -21.8 65.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -97.78 -80.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.604 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 3.6 pt20 -30.68 145.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.66 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER 42.91 93.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 5.7 ptmt -146.76 119.49 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -149.57 160.05 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -13.29 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 1.0 OUTLIER 173.45 -173.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -40.25 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.669 ' H ' HG23 ' A' ' 148' ' ' THR . 1.6 mm-40 -45.34 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.46 88.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.483 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.4 tt0 -137.59 104.42 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -93.89 108.73 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.569 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -101.36 110.16 22.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.765 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.2 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.48 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 6.8 ttt180 -75.44 -45.33 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.627 ' H ' HD22 ' A' ' 154' ' ' LEU . 1.4 t70 -67.9 53.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 1.025 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -79.3 -74.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.843 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.1 -101.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.0 m-20 -79.91 -45.77 17.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.733 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -41.8 -59.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 1.025 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -61.01 -68.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.96 -45.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.2 m-20 -62.97 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.733 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -57.21 -58.1 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.544 ' HB2' ' CD ' ' A' ' 161' ' ' ARG . 4.3 tp10 -32.33 -53.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.32 -71.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 65.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.0 t -153.44 -54.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -71.98 -78.89 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 9.8 mtt -52.04 -58.93 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 175' ' ' LYS . 1.4 tp10 -53.02 -34.91 58.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.84 77.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -63.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.43 -42.76 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . 0.428 ' CE ' ' N ' ' A' ' 176' ' ' MET . 1.7 ttpt -56.93 -56.29 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' MET . . . . . 0.428 ' N ' ' CE ' ' A' ' 175' ' ' LYS . 12.0 ttt -62.11 -17.17 56.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.08 -83.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 133' ' ' ASN . 73.1 t -54.08 -44.14 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER -38.75 -58.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -50.18 68.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -42.07 -43.57 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.08 -49.13 47.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -49.02 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -56.01 -44.95 79.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' ALA . 0.9 OUTLIER -39.44 -60.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -79.67 -73.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 154' ' ' LEU . 6.6 tptt -46.42 93.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.66 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -156.16 -171.23 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.955 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -37.53 109.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.487 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.1 OUTLIER -131.48 110.08 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.427 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -151.96 150.99 30.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 147' ' ' ASP . 6.8 tp10 -123.81 9.39 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.735 ' O ' HG22 ' A' ' 148' ' ' THR . 0.9 OUTLIER 55.38 168.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 148' ' ' THR . 0.6 OUTLIER 83.39 36.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 148' ' ' THR . 5.2 mm-40 72.5 50.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -163.39 88.63 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.427 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mp0 -125.07 147.47 48.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.487 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 11.2 mttm -131.26 110.53 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -90.85 119.61 31.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.66 HD13 ' HA ' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -61.88 -172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.8 OUTLIER -68.56 -34.24 75.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -53.86 -51.69 62.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.99 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 33.26 -94.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.902 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.54 -96.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 160' ' ' TRP . 3.7 m-20 -82.71 -56.98 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.955 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.06 -54.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.99 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.34 -68.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.11 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 161' ' ' ARG . 25.6 m-80 -64.78 -75.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.899 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.4 pp -53.42 -58.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.7 tm-20 -33.02 -53.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 10.6 tp10 -73.06 -63.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 166' ' ' GLU . 7.8 mttp -39.24 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 29.2 t -39.57 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 75.91 -83.92 0.92 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 8.4 mtp -52.58 -55.85 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.84 -32.04 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.465 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -65.65 -37.98 94.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -40.13 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -59.51 -57.86 11.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -59.81 -39.07 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.427 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 ttt -65.9 -24.34 66.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.6 m-85 -96.26 -80.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 177' ' ' PHE . 4.1 pt-20 36.02 47.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -40.7 105.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 140.34 127.86 2.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -85.1 144.0 28.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.366 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' CG ' ' HG2' ' A' ' 134' ' ' MET . 1.5 tttp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 71.6 t -57.57 -30.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.595 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -53.19 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 135' ' ' ASP . 1.4 ptt? -67.09 -19.74 65.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 134' ' ' MET . 42.5 t0 -64.87 -65.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 136' ' ' LEU . 11.7 tp -60.95 -50.24 74.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -46.26 -63.35 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.513 ' CB ' ' HB2' ' A' ' 154' ' ' LEU . . . -49.43 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -43.08 -26.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -83.71 -87.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 140' ' ' LEU . 4.7 ptmt -34.85 -59.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.629 ' C ' HG13 ' A' ' 143' ' ' VAL . 1.2 mm-40 53.69 110.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.651 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.8 OUTLIER 52.68 106.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.529 ' CG ' HD11 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -137.2 116.98 13.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.517 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -150.3 179.3 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -132.35 7.32 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 150' ' ' LYS . 19.6 m-20 59.6 155.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.502 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 13.5 m 74.23 69.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.391 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 51.13 73.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 148' ' ' THR . 2.0 ptmt 172.93 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.517 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.9 mp0 -130.63 148.2 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' HB3' ' CE ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -132.47 112.23 11.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.798 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -106.67 126.47 52.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.945 HD13 ' N ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -108.7 -85.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.81 167.21 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.493 ' O ' ' C ' ' A' ' 157' ' ' VAL . 1.8 t70 71.13 3.2 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -32.58 -89.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.859 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 25.18 -91.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 157' ' ' VAL . 17.2 m-20 -83.65 -56.06 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.754 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.38 -53.08 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -66.03 -69.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -27.57 -45.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.4 m-20 -62.58 -73.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.754 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -55.99 -56.82 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.5 tm-20 -34.58 -51.8 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 165' ' ' GLU . 8.3 tp10 -75.19 -68.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -72.59 68.97 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 66.4 m -168.6 -71.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.14 -83.49 0.58 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.8 mtt -38.1 -68.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.77 -39.32 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -54.47 -60.09 9.12 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -45.26 87.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.608 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -57.86 -29.91 65.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -79.83 -31.94 40.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.456 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.6 ttp -63.28 -57.37 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.888 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -73.63 -34.27 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.2 mt-10 35.18 90.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.888 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -144.74 -63.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 75.71 85.41 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.42 84.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.451 ' C ' ' N ' ' A' ' 134' ' ' MET . 79.0 t -64.79 -57.17 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.75 -29.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.467 ' N ' HD22 ' A' ' 133' ' ' ASN . 0.0 OUTLIER -80.59 -56.03 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.68 -39.37 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.0 tp -74.26 -48.64 27.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -47.39 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -72.64 -48.7 37.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 138' ' ' ALA . 32.2 m-20 -36.39 -50.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.8 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.43 106.92 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.684 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -172.09 28.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.731 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.6 OUTLIER 166.89 116.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.528 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -143.17 146.6 33.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.408 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 7.7 pttm -173.33 167.04 4.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -134.83 8.98 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 148' ' ' THR . 9.7 m-20 56.79 164.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 2.5 m 82.57 40.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.92 58.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.37 82.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 24.7 mp0 -115.15 117.13 29.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.528 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -88.95 111.55 22.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.686 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -92.82 119.4 32.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.91 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -65.03 175.52 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.555 ' N ' HD22 ' A' ' 154' ' ' LEU . 3.6 ttt-85 -48.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.54 ' C ' ' O ' ' A' ' 155' ' ' ARG . 37.6 t0 -28.7 -88.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.922 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t 72.1 -72.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.848 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 29.03 -103.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 160' ' ' TRP . 36.4 m-20 -80.81 -58.18 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.808 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -33.99 -40.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.922 ' CB ' HG13 ' A' ' 157' ' ' VAL . 1.3 ttt180 -71.24 -65.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.531 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -30.04 -41.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -67.56 -75.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.808 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -51.7 -59.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.493 ' CG ' ' CD ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -36.98 -50.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.23 -75.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -42.23 -48.66 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.1 p -46.0 111.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.41 -67.87 0.22 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 12.9 ptm -59.86 -30.91 69.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -54.73 -57.26 12.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.82 -52.45 33.51 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -44.58 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 176' ' ' MET . 31.5 mttm -76.78 -52.48 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -28.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 177' ' ' PHE . 4.4 ttt -95.14 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.901 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -31.38 -45.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.65 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 2.6 mt-10 23.21 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.901 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -146.78 -85.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.08 140.06 6.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.86 133.18 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 133' ' ' ASN . 14.7 p -49.2 -50.92 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.627 ' H ' ' ND2' ' A' ' 133' ' ' ASN . 0.1 OUTLIER -38.81 -63.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 1.3 mtt -54.91 -42.22 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -38.09 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -54.75 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -44.05 -56.07 4.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 142' ' ' GLN . . . -60.0 -45.46 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.25 -50.08 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.5 OUTLIER -80.99 -73.61 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.485 ' HD2' ' CD ' ' A' ' 144' ' ' LYS . 14.0 tttt -35.84 -89.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.782 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 55.33 -169.47 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.854 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER -33.53 104.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.485 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -131.44 119.03 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.477 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 1.4 pttp -145.1 163.52 34.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 1.7 tt0 -114.35 -25.94 8.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 5.7 m-20 155.42 -171.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 147' ' ' ASP . 12.8 t -31.82 132.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 151' ' ' GLU . 33.0 mt-10 70.23 -56.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.08 79.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 2.4 mt-10 -131.59 105.91 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 2.4 mttt -92.06 111.23 22.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -94.09 121.55 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.782 HD22 ' HA ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -66.64 -147.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.69 -28.12 18.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.56 ' O ' ' C ' ' A' ' 157' ' ' VAL . 24.1 t70 -67.48 2.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.975 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -27.71 -91.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.881 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 24.62 -92.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 157' ' ' VAL . 14.1 t70 -82.36 -59.44 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.887 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.92 -53.12 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.975 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.7 OUTLIER -60.39 -70.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.51 -47.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 161' ' ' ARG . 23.6 m-20 -63.19 -73.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.887 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -55.89 -58.16 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -36.97 -46.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 167' ' ' LYS . 25.3 mt-10 -67.5 -79.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 166' ' ' GLU . 3.3 ptmm? -38.86 -47.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 167' ' ' LYS . 9.8 t -38.91 -67.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.43 -43.53 90.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.0 mtp -55.2 -52.61 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -54.08 -30.7 49.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -73.01 -43.45 40.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -34.44 77.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.522 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -72.41 -43.6 63.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.408 ' HE2' ' CA ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -75.87 -14.88 60.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.408 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 9.2 ttt -79.3 -62.38 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 1.1 p90 -68.53 -34.33 75.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER 32.05 89.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.55 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -147.01 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 138.14 131.41 2.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.11 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.13 84.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 134' ' ' MET . 52.7 t -64.13 -55.43 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.91 -29.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.465 ' N ' HD22 ' A' ' 133' ' ' ASN . 0.5 OUTLIER -82.75 -59.02 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.042 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -44.45 -37.91 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' ARG . 9.7 tt -78.16 -55.58 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -38.59 -40.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.924 ' HB1' HD23 ' A' ' 154' ' ' LEU . . . -82.58 -49.3 10.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -40.69 -30.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.1 OUTLIER -95.85 -64.01 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 140' ' ' LEU . 4.6 ttpt -35.08 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 63.19 145.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.774 HG23 ' HH2' ' A' ' 160' ' ' TRP . 4.4 p 36.65 94.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.54 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 13.2 pttt -118.7 123.94 46.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 13.2 pttm -174.77 168.47 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 148' ' ' THR . 2.6 mt-10 178.39 37.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER 61.79 -72.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.57 ' N ' ' O ' ' A' ' 146' ' ' GLU . 1.4 t -42.82 -53.61 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.537 ' N ' ' CG2' ' A' ' 148' ' ' THR . 24.7 mm-40 -86.76 -1.5 57.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 147' ' ' ASP . 0.3 OUTLIER 71.06 -157.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 4.0 mt-10 -99.81 136.6 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.54 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 39.5 mttt -132.5 106.09 7.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 164' ' ' ILE . 0.0 OUTLIER -88.35 89.3 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.924 HD23 ' HB1' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -64.0 -153.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.822 ' N ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.02 172.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 157' ' ' VAL . 8.3 t70 71.88 4.27 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.06 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.22 -90.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.857 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 27.52 -92.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 157' ' ' VAL . 1.5 m-20 -83.47 -59.13 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.774 ' HH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -36.32 -48.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.06 ' CB ' HG23 ' A' ' 157' ' ' VAL . 8.3 tmm_? -64.06 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -31.97 -41.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 22.7 m-20 -65.37 -78.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.691 HG12 ' CZ3' ' A' ' 160' ' ' TRP . 0.6 OUTLIER -47.56 -56.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.486 ' CG ' ' HD3' ' A' ' 161' ' ' ARG . 2.2 tp10 -38.89 -49.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.8 -75.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.0 OUTLIER -44.68 -71.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 164' ' ' ILE . 0.4 OUTLIER -67.8 127.36 32.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 134.96 -118.22 1.9 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -38.54 -35.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.784 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.59 -69.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -42.74 -38.31 3.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -44.02 72.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.504 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.45 -39.32 72.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -30.15 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 4.5 tpt -64.23 -60.3 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.809 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.8 OUTLIER -71.59 -34.86 70.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER 42.14 88.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.809 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -171.37 52.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -76.71 163.7 52.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -95.58 109.49 21.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.026 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.7 pttt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 134' ' ' MET . 71.1 t -66.24 -59.81 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.449 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.4 -29.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.464 ' N ' ' C ' ' A' ' 132' ' ' VAL . 3.6 mmt -80.53 -48.44 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 132' ' ' VAL . 87.9 m-20 -56.42 -37.65 70.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.62 -57.87 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 141' ' ' LYS . 5.5 mtt180 -47.78 -36.53 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.84 -61.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 139' ' ' ASN . 26.8 t-20 -41.3 -67.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 mp -52.58 -68.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.647 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.43 -163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.923 ' HG3' HG12 ' A' ' 143' ' ' VAL . 0.1 OUTLIER 68.48 24.73 7.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.073 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 p 165.87 98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -153.98 152.52 30.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.496 ' CD ' ' C ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -179.52 173.27 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.9 OUTLIER -118.96 -73.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER 160.05 -46.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.6 p -68.8 60.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 72.3 3.0 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 2.1 mmtt -84.55 110.7 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.4 ' CD ' ' CB ' ' A' ' 168' ' ' SER . 1.5 mt-10 -137.33 97.24 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -91.89 101.08 13.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.777 ' OD2' HG21 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -99.34 157.06 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.869 HD13 ' CA ' ' A' ' 142' ' ' GLN . 6.7 tt -122.15 159.28 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 154' ' ' LEU . 0.6 OUTLIER -30.69 -60.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.773 ' H ' HD23 ' A' ' 154' ' ' LEU . 13.6 t70 -39.4 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.942 HG13 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 58.05 -78.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.69 -101.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.8 OUTLIER -79.29 -53.66 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.073 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -37.98 -58.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 107.996 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.942 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.2 OUTLIER -59.41 -73.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.08 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.6 m-20 -57.01 -72.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.759 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.4 pp -60.76 -54.44 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.641 ' N ' HD12 ' A' ' 164' ' ' ILE . 5.8 tp10 -28.14 -54.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -73.28 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 113.53 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.4 ' CB ' ' CD ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER 177.14 -75.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -99.84 -47.74 1.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 33.4 mtt -54.66 -66.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -35.16 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.27 -49.53 56.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -54.16 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -60.84 -41.17 95.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 4.2 ttpt -48.57 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 4.1 ttt -58.76 -47.23 85.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 178' ' ' GLU . 2.9 m-85 -53.98 -84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 177' ' ' PHE . 9.3 pt-20 38.26 55.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -40.77 110.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 126.96 -143.3 14.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -174.95 169.25 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.8 t -56.89 -41.45 76.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -39.87 -56.83 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.3 mmt -68.08 -47.21 68.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -44.12 -39.43 4.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.4 tp -75.83 -55.24 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.41 -44.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 1.024 ' HB1' HD23 ' A' ' 154' ' ' LEU . . . -78.17 -47.38 18.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -42.13 -29.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -98.61 -64.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.515 ' CE ' ' CB ' ' A' ' 154' ' ' LEU . 3.9 ttpm? -33.39 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.539 ' O ' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER 59.34 136.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 160' ' ' TRP . 3.1 p 29.03 95.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.477 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 5.8 pttt -109.95 82.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.517 ' HD3' ' CG2' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -123.34 159.41 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.489 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 3.4 tt0 -121.35 -0.66 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 148' ' ' THR . 0.1 OUTLIER 69.26 177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 0.5 OUTLIER 82.97 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 148' ' ' THR . 0.5 OUTLIER 162.51 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -153.43 114.06 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.2 mt-10 -141.82 95.03 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.477 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 11.7 mttm -85.12 121.39 27.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.726 ' OD1' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -90.27 115.44 27.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.024 HD23 ' HB1' ' A' ' 138' ' ' ALA . 0.0 OUTLIER -90.67 176.54 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 154' ' ' LEU . 11.2 tpt85 -32.15 -70.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.547 ' O ' ' HD1' ' A' ' 160' ' ' TRP . 17.6 t70 -57.01 89.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.887 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -120.87 -68.19 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.79 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 33.01 -118.59 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -70.56 -56.21 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.794 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -31.12 -50.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.887 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -64.54 -67.32 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -27.63 -43.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 161' ' ' ARG . 5.7 m-80 -64.9 -75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.794 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.1 pp -51.87 -54.45 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.0 tp10 -37.24 -51.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 162' ' ' LYS . 1.2 mm-40 -65.88 -77.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.495 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 10.5 ptmt -39.65 -59.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 164' ' ' ILE . 43.3 t -48.07 161.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 73.52 -89.32 0.62 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -40.41 -34.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -61.35 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -66.72 -43.64 91.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.24 -53.31 2.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.46 ' C ' ' N ' ' A' ' 176' ' ' MET . 5.0 mttt -73.64 -48.08 35.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.52 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -40.5 -28.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.504 ' O ' ' C ' ' A' ' 177' ' ' PHE . 43.5 tpp -98.86 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -29.27 -47.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.648 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 5.0 mt-10 44.49 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 177' ' ' PHE . . . -73.0 149.99 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 174.01 120.43 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.79 153.69 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 135' ' ' ASP . 72.7 t -72.07 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.6 OUTLIER -37.46 -44.26 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -45.41 64.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 18.7 t70 -52.65 -48.89 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -41.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.77 -57.23 7.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -66.84 -48.67 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 138' ' ' ALA . 59.8 m-20 -35.55 -48.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.32 -74.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.486 ' CD ' ' HD3' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -66.34 105.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.783 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -170.73 28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.068 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 168.18 125.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.53 ' CG ' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -165.65 160.97 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 175.56 149.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -116.43 -2.31 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 150' ' ' LYS . 2.1 m-20 70.4 157.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.464 ' O ' ' CD ' ' A' ' 150' ' ' LYS . 2.8 m 64.67 81.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 150' ' ' LYS . 5.2 mm-40 48.39 69.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 1.4 ptmt 169.87 85.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 145' ' ' LYS . 1.1 mt-10 -126.87 114.96 18.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.53 ' CB ' ' CG ' ' A' ' 144' ' ' LYS . 2.6 mmtt -87.05 110.54 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.526 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.3 OUTLIER -116.44 115.34 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.677 ' HG ' ' CA ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -74.37 163.28 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.594 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -35.07 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.32 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.594 ' C ' ' O ' ' A' ' 155' ' ' ARG . 32.4 t0 -22.48 -78.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.908 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 61.43 -73.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.825 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 28.49 -102.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.528 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.5 m-20 -79.52 -59.18 2.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.068 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -31.85 -50.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.026 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.908 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -65.55 -70.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.77 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 161' ' ' ARG . 14.7 m-20 -61.06 -72.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.765 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -57.99 -54.22 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.3 tp10 -31.91 -54.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.61 -68.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -72.37 97.32 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 169' ' ' GLY . 78.9 p -178.74 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.442 ' N ' ' OG ' ' A' ' 168' ' ' SER . . . -80.85 -86.69 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.9 mtm -40.3 -70.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 9.4 tp10 -48.78 -23.81 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 169' ' ' GLY . . . -74.28 -46.91 19.02 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -34.55 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 7.5 mttm -73.81 -43.33 59.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.414 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -76.33 -15.65 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.414 ' N ' ' HE2' ' A' ' 175' ' ' LYS . 5.0 ttt -79.05 -61.83 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.912 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -69.46 -33.39 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 1.3 mm-40 35.65 91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.912 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -145.62 -64.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -52.5 135.4 37.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.23 171.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' VAL . 1.8 ttmt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.773 HG12 HD13 ' A' ' 136' ' ' LEU . 2.0 t 40.29 56.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 133' ' ' ASN . 1.3 p-10 44.08 82.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.561 ' O ' ' CG ' ' A' ' 134' ' ' MET . 0.0 OUTLIER 53.0 77.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' A' ' 134' ' ' MET . 4.7 m-20 31.42 53.94 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.773 HD13 HG12 ' A' ' 132' ' ' VAL . 14.6 tp 42.45 66.48 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 8.2 mmt180 56.36 22.0 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . . . 68.0 81.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.507 ' ND2' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER 37.51 41.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER 71.64 87.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER 68.88 -62.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.831 ' C ' HD11 ' A' ' 154' ' ' LEU . 0.4 OUTLIER 76.96 170.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.712 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.5 OUTLIER -20.17 123.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.611 ' HG2' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -140.78 115.48 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.573 ' N ' ' CD ' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.73 -169.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -140.14 12.31 2.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 148' ' ' THR . 1.9 m-20 72.53 146.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 150' ' ' LYS . 1.1 m 65.66 102.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 151' ' ' GLU . 4.9 mm-40 66.26 -68.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -53.29 86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 145' ' ' LYS . 2.3 mp0 -132.01 113.21 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 144' ' ' LYS . 12.1 mmtt -124.03 110.77 15.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.552 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -102.14 123.79 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.831 HD11 ' C ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -95.17 -115.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 154' ' ' LEU . 3.0 ptm85 -98.07 166.15 11.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.478 ' O ' ' C ' ' A' ' 157' ' ' VAL . 3.6 t70 76.89 1.08 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.09 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -34.87 -87.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.853 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 26.11 -90.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 157' ' ' VAL . 5.3 m-20 -84.44 -55.12 4.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -39.78 -55.44 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.09 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.1 OUTLIER -64.21 -69.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.578 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.9 -46.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' ARG . 33.2 m-80 -62.75 -77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.748 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.7 pp -49.16 -54.14 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.0 tm-20 -34.76 -52.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.86 -22.04 26.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 164' ' ' ILE . 6.8 tptt -67.47 -79.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 135.11 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 120.24 -82.99 0.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 171' ' ' GLU . 3.4 ptt? -49.7 -36.23 24.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 170' ' ' MET . 5.1 tp10 -63.6 -70.65 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -41.76 -36.92 1.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -63.0 -60.89 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -54.17 -32.04 54.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 176' ' ' MET . 5.5 ttpt -60.32 -69.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.419 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 2.3 ttp -55.32 -27.6 48.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 111.071 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.51 -84.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 179' ' ' ALA . 4.4 mm-40 48.15 29.35 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 178' ' ' GLU . . . 177.78 107.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 134.07 179.7 16.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.94 138.51 45.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' MET . 39.7 t -64.35 -57.31 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.463 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.3 -30.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.463 ' N ' HD22 ' A' ' 133' ' ' ASN . 0.0 OUTLIER -80.37 -61.32 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.42 -37.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' ARG . 1.4 tp -75.96 -52.68 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -38.5 -52.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -72.17 -47.5 50.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -39.84 -32.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 138' ' ' ALA . 0.5 OUTLIER -97.51 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 142' ' ' GLN . 1.4 tptm -40.0 -56.43 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.599 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 5.1 pt20 -30.55 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.788 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.2 OUTLIER 40.35 90.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.72 107.4 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.455 ' CB ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -144.97 151.58 38.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 -1.09 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.77 154.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.4 m 75.28 68.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 51.13 70.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.83 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 145' ' ' LYS . 2.0 mp0 -135.87 150.43 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -136.2 114.15 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.534 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -106.07 111.7 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.49 -157.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.791 ' O ' HG12 ' A' ' 157' ' ' VAL . 36.3 ptt180 -79.38 -34.36 42.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.627 ' N ' HD13 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -48.41 -55.66 10.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.13 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.5 OUTLIER 31.43 -96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.82 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 33.33 -95.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.5 OUTLIER -82.93 -59.38 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -36.89 -51.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.025 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.13 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.3 ttt180 -61.88 -69.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.588 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.79 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 34.7 m-20 -65.73 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.874 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.2 pp -54.83 -60.14 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -36.1 -46.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 5.4 tp10 -70.91 -80.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -38.23 -37.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 164' ' ' ILE . 47.7 m -65.21 143.01 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 88.29 -82.63 1.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 11.1 mtp -47.86 -63.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.26 -44.47 33.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 175' ' ' LYS . . . -59.16 -71.96 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.14 -31.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 18.6 mmtt -68.97 -44.59 72.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.465 ' CA ' ' HE2' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -77.62 -7.5 56.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.5 ttp -84.75 -54.0 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 2.4 p90 -76.69 -37.43 56.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.488 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 9.5 tt0 34.14 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -144.96 -46.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -94.56 100.83 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -138.67 125.91 21.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.8 tptt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' C ' ' N ' ' A' ' 134' ' ' MET . 54.4 t -66.03 -57.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.46 -29.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.471 ' N ' HD22 ' A' ' 133' ' ' ASN . 0.0 OUTLIER -80.52 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -44.13 -41.24 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.48 -54.5 9.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -41.73 -51.86 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.73 -54.88 28.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -43.24 -37.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tp -71.75 -49.26 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.739 ' O ' HG12 ' A' ' 143' ' ' VAL . 3.9 tptm -93.06 -115.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.804 ' N ' HD13 ' A' ' 154' ' ' LEU . 2.6 pp0? 36.63 30.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.8 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.2 p 161.65 111.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 0.0 OUTLIER -138.66 113.3 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 15.3 pttm -161.35 177.16 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 5.5 tt0 -137.08 -71.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 2.6 m-20 155.93 177.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.6 OUTLIER 70.98 -58.5 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.467 ' N ' HG22 ' A' ' 148' ' ' THR . 0.1 OUTLIER -173.87 73.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.419 ' HG3' ' CB ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -175.55 97.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.7 OUTLIER -132.94 83.14 2.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.471 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -83.9 116.8 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -95.03 149.26 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 142' ' ' GLN . 2.7 tp -71.18 -134.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.565 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.2 ptt180 -108.46 -40.84 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLY . 39.4 t0 -57.65 -48.4 79.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.118 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER 35.47 -90.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.91 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 30.34 -96.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 157' ' ' VAL . 0.4 OUTLIER -81.32 -51.56 8.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.8 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.4 OUTLIER -42.5 -60.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.002 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.118 ' CB ' HG23 ' A' ' 157' ' ' VAL . 1.5 ttm180 -57.1 -69.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -22.49 -51.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 161' ' ' ARG . 26.9 m-20 -58.57 -72.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.717 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 pp -57.95 -54.45 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -29.09 -55.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.542 ' CG ' ' N ' ' A' ' 167' ' ' LYS . 4.2 pt-20 -80.17 -48.86 12.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.542 ' N ' ' CG ' ' A' ' 166' ' ' GLU . 8.1 mttt -49.06 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.55 110.66 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 138.02 -94.03 0.21 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 2.3 ptp -59.11 -30.84 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 1.0 OUTLIER -73.88 -31.25 63.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 176' ' ' MET . . . -77.56 -38.67 27.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -73.87 -37.75 64.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -72.89 -39.07 66.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 171' ' ' GLU . 0.6 OUTLIER -77.74 -21.86 51.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.474 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 2.7 tpp -74.02 -60.93 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.8 OUTLIER -68.92 -32.85 72.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.5 OUTLIER 39.28 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.712 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -166.05 70.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 135.99 120.98 2.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -161.69 112.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.986 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' N ' ' A' ' 134' ' ' MET . 71.1 t -57.68 -59.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.31 -29.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' HD22 ' A' ' 133' ' ' ASN . 4.0 tmm? -78.11 -53.53 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.24 -39.66 45.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.88 -52.79 18.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -63.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -54.83 -45.34 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 138' ' ' ALA . 1.3 t30 -39.62 -63.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -76.62 -74.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -44.42 96.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.543 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -160.66 119.19 2.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.868 HG23 ' CH2' ' A' ' 160' ' ' TRP . 1.2 p 39.67 89.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 152' ' ' LYS . 5.0 ptmt -116.16 104.73 11.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.3 OUTLIER -152.69 160.58 43.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.414 ' CB ' ' HD2' ' A' ' 150' ' ' LYS . 0.6 OUTLIER -132.52 6.09 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' A' ' 148' ' ' THR . 8.9 m-20 64.18 -177.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.4 OUTLIER 77.55 -53.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.423 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 148' ' ' THR . 1.6 mt-10 178.33 52.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.414 ' HD2' ' CB ' ' A' ' 146' ' ' GLU . 1.6 ptpt -165.16 108.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 19.8 mp0 -139.98 88.48 2.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 144' ' ' LYS . 20.1 mttt -87.36 109.07 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.617 ' CG ' HG21 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.941 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -68.17 179.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 157' ' ' VAL . 1.1 tpp180 -57.3 -64.87 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.515 ' O ' HD11 ' A' ' 154' ' ' LEU . 4.4 t0 -60.76 61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.807 HG13 ' HB2' ' A' ' 161' ' ' ARG . 0.5 OUTLIER -83.52 -64.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.722 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 22.86 -102.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.595 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.7 OUTLIER -72.64 -67.47 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 0.763 . . . . 0.0 109.285 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.868 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -25.72 -48.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.807 ' HB2' HG13 ' A' ' 157' ' ' VAL . 1.6 ttt180 -63.79 -72.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.1 OUTLIER -23.55 -49.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.537 ' N ' ' O ' ' A' ' 161' ' ' ARG . 7.4 m-20 -58.62 -73.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.822 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -58.66 -54.98 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 161' ' ' ARG . 3.4 tt0 -28.93 -55.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 170' ' ' MET . 1.3 tp10 -70.33 -59.48 2.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -90.3 66.78 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 164' ' ' ILE . 17.0 p -147.28 -57.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -97.55 -78.47 1.4 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 166' ' ' GLU . 17.7 ptm -37.37 -39.58 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.61 -68.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -39.19 -40.41 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -64.81 -70.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -43.04 -32.56 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 176' ' ' MET . 7.9 ttpt -63.13 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.42 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 10.0 ptp -55.53 -17.3 5.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -82.69 -83.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 40.3 72.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -46.93 -61.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 175.29 -122.55 0.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.6 1.187 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.34 121.5 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 132' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 132' ' ' VAL . 10.1 p 32.36 87.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.559 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER 26.51 49.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.547 ' O ' ' C ' ' A' ' 135' ' ' ASP . 9.2 mmt 57.89 79.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.547 ' C ' ' O ' ' A' ' 134' ' ' MET . 3.5 m-20 27.19 54.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.501 ' HA ' ' ND2' ' A' ' 133' ' ' ASN . 12.1 tp 44.73 67.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 138' ' ' ALA . 4.3 mpt_? 55.72 19.39 3.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . . . 69.11 82.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.434 HD22 ' NE2' ' A' ' 142' ' ' GLN . 0.2 OUTLIER 38.42 43.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.7 mp 67.74 83.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.854 ' HE2' HD12 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 74.62 -59.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.66 ' O ' ' C ' ' A' ' 143' ' ' VAL . 0.4 OUTLIER 77.44 164.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.853 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -16.75 121.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.517 ' CD ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -142.71 148.21 36.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 5.8 pttp 176.13 -176.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.407 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 0.9 OUTLIER -125.42 0.91 7.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' A' ' 148' ' ' THR . 0.2 OUTLIER 62.53 -163.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 149' ' ' GLU . 1.3 m 67.77 -58.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.493 ' HG2' HG22 ' A' ' 148' ' ' THR . 4.3 pt-20 179.61 50.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -163.46 110.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.475 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 3.7 mp0 -112.13 158.49 19.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.3 OUTLIER -145.83 113.93 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.545 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -103.17 138.44 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.854 HD12 ' HE2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -99.81 -170.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -23.79 63.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.525 ' CB ' HD23 ' A' ' 154' ' ' LEU . 6.6 t70 -69.51 -1.86 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.004 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -32.83 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.863 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.02 -96.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 157' ' ' VAL . 62.0 m-20 -85.02 -54.32 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.1 OUTLIER -38.47 -51.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.004 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -64.02 -69.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.582 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.79 -44.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 161' ' ' ARG . 9.4 m-20 -66.9 -74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.921 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 pp -54.72 -60.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 161' ' ' ARG . 1.6 tp10 -36.33 -51.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 165' ' ' GLU . 2.0 tp10 -61.14 -55.24 34.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -157.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.2 m 72.29 -60.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -77.94 -79.68 0.73 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 3.0 mtt -52.95 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -46.7 -43.14 17.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -60.12 -35.06 86.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 176' ' ' MET . 1.3 tpm_? -76.32 -65.35 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.78 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.33 -36.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 176' ' ' MET . 0.0 OUTLIER -78.06 -42.85 30.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 173' ' ' ARG . 11.7 tpt -50.01 -59.37 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.624 ' CE2' ' CB ' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -72.31 -39.13 68.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.56 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 16.4 tt0 57.79 144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.624 ' CB ' ' CE2' ' A' ' 177' ' ' PHE . . . 179.83 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -140.91 128.18 3.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.95 148.55 36.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' MET . 69.4 t -54.99 -60.59 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -38.97 -30.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 1.9 tpt -78.31 -50.76 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.2 OUTLIER -55.72 -34.48 65.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -47.93 31.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.43 -57.81 9.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 141' ' ' LYS . . . -62.36 -43.76 98.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 135' ' ' ASP . 0.6 OUTLIER -40.94 -59.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mp -74.69 -72.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 15.3 tptm -71.01 122.97 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.645 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -174.86 34.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.921 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER -172.13 112.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.52 ' HD2' ' CB ' ' A' ' 152' ' ' LYS . 9.4 pttt -155.57 139.09 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 177.47 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 150' ' ' LYS . 0.4 OUTLIER -115.95 -54.84 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.4 -74.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 149' ' ' GLU . 6.6 t -129.7 135.0 47.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 148' ' ' THR . 2.9 tt0 71.82 -48.32 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -73.99 56.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.575 ' CD ' HD13 ' A' ' 164' ' ' ILE . 3.2 tm-20 -103.5 125.01 49.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' HD2' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -107.81 101.45 10.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.568 ' HB2' ' CG2' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.23 125.2 48.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' ' 142' ' ' GLN . 6.6 mp -91.42 -169.0 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 157' ' ' VAL . 0.0 OUTLIER -60.88 -46.47 90.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 142' ' ' GLN . 0.4 OUTLIER -69.55 48.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.917 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.2 t -76.3 -69.25 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.786 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 26.94 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.559 ' O ' ' C ' ' A' ' 160' ' ' TRP . 94.7 m-20 -80.51 -61.12 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.921 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -29.95 -46.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 107.984 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.917 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -70.27 -69.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -26.2 -44.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.2 m-20 -64.93 -72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.845 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -56.64 -57.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 161' ' ' ARG . 19.3 tp10 -34.11 -51.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -68.62 -78.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.497 ' CG ' ' HA ' ' A' ' 164' ' ' ILE . 0.0 OUTLIER -38.26 -31.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 164' ' ' ILE . 48.5 t -66.78 134.03 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 95.35 -63.75 1.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 23.2 ptp -59.63 -32.18 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.15 -42.62 59.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.49 84.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -53.97 6.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 0.807 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 177' ' ' PHE . 0.7 OUTLIER -56.08 -30.3 61.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -38.76 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.6 -52.65 59.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.887 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.8 OUTLIER -81.6 -35.34 30.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.596 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 61.9 tt0 34.31 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.887 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -143.06 -61.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -67.6 80.55 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -164.48 97.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.483 ' CE ' ' SD ' ' A' ' 134' ' ' MET . 2.0 tttp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 133' ' ' ASN . 96.4 t -57.59 -48.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -33.84 -65.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 131' ' ' LYS . 4.7 ptm -65.85 -33.7 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.4 t0 -52.3 -64.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.3 tp -59.64 -55.02 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -41.31 -73.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.438 ' C ' ' N ' ' A' ' 140' ' ' LEU . . . -48.82 -58.32 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -40.93 -28.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' O ' ' A' ' 141' ' ' LYS . 0.4 OUTLIER -88.92 -68.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 140' ' ' LEU . 16.4 ttpt -45.1 -97.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.714 ' HA ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER 60.92 142.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.055 HG23 ' CH2' ' A' ' 160' ' ' TRP . 6.4 p 30.32 81.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.498 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 9.2 pttt -102.21 75.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.749 ' HD2' HG22 ' A' ' 143' ' ' VAL . 0.0 OUTLIER -106.59 143.38 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 147' ' ' ASP . 0.5 OUTLIER -117.44 36.83 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 146' ' ' GLU . 10.8 m-20 62.8 -173.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER 44.82 48.09 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 148' ' ' THR . 9.9 pt-20 49.95 48.31 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 148' ' ' THR . 4.4 mttp -115.62 37.25 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.711 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 0.2 OUTLIER -77.92 120.93 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 2.0 mttt -108.74 107.43 17.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -67.43 139.12 57.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 154' ' ' LEU . 1.1 pt? -84.17 -129.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.67 ' O ' HG12 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -102.78 -36.14 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.538 ' O ' ' N ' ' A' ' 158' ' ' GLY . 27.2 t0 -55.03 -49.14 72.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.084 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.37 -94.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.887 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 32.52 -97.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 160' ' ' TRP . 6.6 t70 -82.22 -56.54 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.055 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -38.18 -55.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.084 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.81 -70.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -24.23 -49.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 161' ' ' ARG . 10.4 m-20 -61.52 -76.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.883 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -52.8 -56.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 28.4 tt0 -32.41 -52.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.93 -74.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.561 ' O ' ' CB ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -69.82 107.89 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 167' ' ' LYS . 1.7 m 154.36 -74.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -47.09 -69.74 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -23.31 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.04 -54.28 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -65.42 -29.18 74.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -71.8 -55.12 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -63.68 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.459 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -79.95 -25.13 40.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 11.1 tpt -70.12 -56.04 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.867 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 1.0 OUTLIER -75.09 -34.38 61.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.58 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 3.9 tt0 34.38 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.867 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -140.18 -56.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 176.99 150.67 8.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.14 110.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.78 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.1 tttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 134' ' ' MET . 54.3 t -60.39 -56.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.04 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.457 ' N ' ' C ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -81.15 -53.32 6.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.41 -31.51 34.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.6 tp -78.6 -63.21 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -39.75 -51.85 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -67.39 -55.5 13.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.513 ' C ' ' O ' ' A' ' 138' ' ' ALA . 3.5 m-20 -31.44 -43.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 138' ' ' ALA . 0.6 OUTLIER -91.03 -73.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.472 ' HD2' ' CE ' ' A' ' 144' ' ' LYS . 1.6 tptm -60.28 94.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.737 ' C ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER 177.84 33.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.95 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 0.5 OUTLIER 164.32 85.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' CE ' ' HD2' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -146.73 173.87 11.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.526 ' HB3' ' CB ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -178.9 168.24 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.5 -0.18 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 148' ' ' THR . 4.7 m-20 67.16 160.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' ASP . 1.8 m 81.38 49.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.09 53.93 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -168.8 111.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -148.87 129.5 14.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 109.23 18.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.521 ' OD2' ' CZ ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -120.76 133.26 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.688 HD22 ' H ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -110.85 179.88 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.702 ' O ' HG12 ' A' ' 157' ' ' VAL . 43.0 tpt85 -26.23 -45.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.688 ' H ' HD22 ' A' ' 154' ' ' LEU . 52.0 t0 -40.88 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.919 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.9 OUTLIER 33.0 -101.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.818 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 35.91 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 160' ' ' TRP . 0.3 OUTLIER -83.13 -58.26 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.95 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -37.2 -50.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.919 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.0 OUTLIER -61.37 -68.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.579 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.39 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.8 m-20 -65.43 -74.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.895 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 2.3 pp -58.66 -57.61 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.685 ' N ' HD12 ' A' ' 164' ' ' ILE . 61.0 tt0 -34.18 -53.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 167' ' ' LYS . 13.1 tt0 -79.57 -78.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -30.16 -45.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 164' ' ' ILE . 10.4 t -67.19 131.14 45.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 109.56 -78.79 0.24 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -36.49 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -48.65 -56.27 8.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -67.38 -44.85 83.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.66 -57.17 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.777 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.473 ' C ' ' N ' ' A' ' 176' ' ' MET . 6.9 pttt -67.66 -51.59 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 175' ' ' LYS . 0.0 OUTLIER -39.19 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.473 ' N ' ' C ' ' A' ' 174' ' ' LYS . 27.0 tpp -88.75 -61.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 1.113 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.0 OUTLIER -31.98 -46.89 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER 34.37 93.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 1.113 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -169.76 50.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 143.56 95.72 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -137.93 128.44 26.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.784 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 65.4 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 134' ' ' MET . 50.4 t -66.29 -55.65 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.36 -30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 132' ' ' VAL . 0.0 OUTLIER -83.49 -53.01 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.73 -36.54 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 137' ' ' ARG . 1.3 tp -79.63 -58.42 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -38.22 -38.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 140' ' ' LEU . . . -81.03 -53.31 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' ALA . 4.8 t-20 -36.36 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 141' ' ' LYS . 2.9 mp -96.14 -65.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 140' ' ' LEU . 14.5 tttt -41.42 -95.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.719 ' C ' HD12 ' A' ' 154' ' ' LEU . 0.6 OUTLIER 65.67 -173.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.841 HG23 ' CH2' ' A' ' 160' ' ' TRP . 0.4 OUTLIER -32.66 99.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.574 ' C ' ' HG3' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -124.75 126.59 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.0 OUTLIER 165.13 -163.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 147' ' ' ASP . 8.2 tp10 -121.33 -80.56 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 146' ' ' GLU . 1.1 m-20 156.24 -173.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.548 HG22 ' N ' ' A' ' 149' ' ' GLU . 0.3 OUTLIER 74.14 -57.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.548 ' N ' HG22 ' A' ' 148' ' ' THR . 1.0 OUTLIER -170.27 60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 145' ' ' LYS . 0.0 OUTLIER -176.16 102.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.651 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.1 pm0 -133.29 137.43 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -119.75 107.83 13.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.535 ' C ' ' OD1' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -89.31 140.87 29.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -98.28 -172.98 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.514 ' O ' ' C ' ' A' ' 156' ' ' ASP . 0.0 OUTLIER -50.74 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 158' ' ' GLY . 0.7 OUTLIER -30.87 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.914 HG13 ' CB ' ' A' ' 161' ' ' ARG . 1.1 t 64.83 -69.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.803 ' N ' HG12 ' A' ' 157' ' ' VAL . . . 27.89 -103.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.095 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.581 ' O ' ' C ' ' A' ' 160' ' ' TRP . 2.2 m-20 -76.4 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.841 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.3 OUTLIER -28.84 -48.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.039 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.914 ' CB ' HG13 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -65.21 -70.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.566 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.6 OUTLIER -25.99 -46.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 161' ' ' ARG . 43.9 m-20 -60.9 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.0 OUTLIER -57.01 -54.15 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.7 tp10 -30.95 -54.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 167' ' ' LYS . 5.9 mm-40 -81.49 -56.93 3.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -37.54 -86.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 p -59.63 151.37 24.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 110.43 -105.9 2.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.42 -23.49 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.82 -64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -55.54 -26.69 46.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -72.06 -54.94 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 14.2 pttt -60.68 -28.64 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.521 ' HA ' ' CE ' ' A' ' 175' ' ' LYS . 0.1 OUTLIER -82.61 -27.46 31.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.17 -50.23 61.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.893 ' CE2' ' HB3' ' A' ' 179' ' ' ALA . 0.9 OUTLIER -82.42 -34.36 28.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.589 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 0.6 OUTLIER 35.21 90.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.893 ' HB3' ' CE2' ' A' ' 177' ' ' PHE . . . -144.42 -61.78 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -177.69 120.73 0.74 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.28 149.59 46.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.499 ' N ' ' CB ' ' A' ' 135' ' ' ASP . 7.2 ttpt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.59 HG12 ' H ' ' A' ' 133' ' ' ASN . 1.5 t 55.4 -151.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.59 ' H ' HG12 ' A' ' 132' ' ' VAL . 0.2 OUTLIER -66.87 -56.78 8.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.484 ' C ' ' O ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -31.13 -51.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.499 ' CB ' ' N ' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -70.16 -51.21 33.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' ASN . 54.6 tp -45.53 -62.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -51.73 -58.8 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -50.27 -22.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -82.15 -34.09 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' ARG . 0.3 OUTLIER -82.72 -69.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.5 OUTLIER -35.75 -34.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -28.59 106.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 1.046 HG23 ' CH2' ' A' ' 160' ' ' TRP . 2.0 p 41.54 91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.508 ' HG3' ' CB ' ' A' ' 152' ' ' LYS . 1.3 pttt -120.94 83.8 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -122.4 162.01 22.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.5 9.43 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 148' ' ' THR . 60.1 m-20 60.59 153.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 147' ' ' ASP . 26.2 m 72.14 75.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 48.83 73.64 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.169 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.26 91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -142.24 99.79 3.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.508 ' CB ' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -89.39 113.8 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.521 ' CB ' ' HG3' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -97.04 115.51 27.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.743 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.76 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.624 ' O ' HG12 ' A' ' 157' ' ' VAL . 8.5 tpt180 -68.47 -42.79 78.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.551 ' H ' HD22 ' A' ' 154' ' ' LEU . 7.7 t0 -68.96 51.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.139 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER -72.91 -82.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.871 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 34.93 -100.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 160' ' ' TRP . 58.5 m-20 -80.58 -51.37 8.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 1.046 ' CH2' HG23 ' A' ' 143' ' ' VAL . 0.6 OUTLIER -38.15 -61.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.139 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -58.26 -67.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.585 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.63 -48.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 161' ' ' ARG . 6.7 m-20 -61.74 -76.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.767 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.6 pp -51.99 -55.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 161' ' ' ARG . 8.7 tm-20 -31.9 -54.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.35 -69.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 168' ' ' SER . 0.0 OUTLIER -68.52 -151.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 172' ' ' GLY . 0.5 OUTLIER 65.64 -80.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -51.71 -72.12 0.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 5.7 mtp -42.52 -63.62 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.66 -29.53 52.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.467 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -68.76 -39.39 85.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -35.44 66.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 177' ' ' PHE . 3.6 mmtt -72.28 -39.39 68.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.489 ' HE3' ' CA ' ' A' ' 176' ' ' MET . 0.7 OUTLIER -79.76 -20.49 46.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.348 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.489 ' CA ' ' HE3' ' A' ' 175' ' ' LYS . 8.9 tpt -73.44 -56.77 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 178' ' ' GLU . 0.8 OUTLIER -75.17 -32.57 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.588 ' N ' ' CD1' ' A' ' 177' ' ' PHE . 8.6 pt-20 38.25 85.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.542 ' HB3' ' CD2' ' A' ' 177' ' ' PHE . . . -165.55 -179.99 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 148.54 -167.93 29.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.12 135.46 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.751 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.488 ' O ' ' C ' ' A' ' 132' ' ' VAL . 5.9 mtpt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 133' ' ' ASN . 99.9 t 32.79 -110.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.631 ' N ' HG12 ' A' ' 132' ' ' VAL . 0.0 OUTLIER -39.15 -65.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.427 ' HA ' ' CB ' ' A' ' 137' ' ' ARG . 3.3 mtt -53.7 -37.63 63.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -49.5 -67.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -28.19 69.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 134' ' ' MET . 21.1 tpp180 -52.81 -67.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -61.12 -43.02 99.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' ALA . 62.0 m-20 -39.71 -46.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' LYS . 2.9 tp -89.47 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 142' ' ' GLN . 9.8 tptm -35.29 -62.21 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . 4.6 pt20 -30.58 136.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.87 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.8 p 40.8 91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.473 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 15.9 ptmt -133.38 116.51 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -118.75 125.63 50.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 150' ' ' LYS . 4.3 mt-10 -116.75 25.18 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.584 ' O ' ' HB2' ' A' ' 150' ' ' LYS . 0.2 OUTLIER 58.08 -164.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.507 HG23 ' HD3' ' A' ' 150' ' ' LYS . 5.0 t 43.33 29.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 148' ' ' THR . 1.4 mt-10 74.22 40.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -99.5 52.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 145' ' ' LYS . 1.9 mt-10 -85.02 102.29 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -110.49 112.68 24.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.556 ' OD1' ' HB ' ' A' ' 157' ' ' VAL . 0.1 OUTLIER -102.43 130.87 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.557 ' HB3' ' HA ' ' A' ' 142' ' ' GLN . 1.0 OUTLIER -72.27 -151.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.773 ' O ' HG12 ' A' ' 157' ' ' VAL . 4.0 ptt180 -87.61 -34.38 18.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 158' ' ' GLY . 6.6 t70 -51.9 -49.37 63.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.155 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.2 OUTLIER 32.1 -94.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.873 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 37.43 -95.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 157' ' ' VAL . 28.3 m-20 -85.88 -53.6 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 143' ' ' VAL . 0.1 OUTLIER -39.61 -57.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.155 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.4 OUTLIER -63.54 -69.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -23.22 -49.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 161' ' ' ARG . 22.4 m-20 -62.99 -74.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.782 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.9 pp -53.18 -56.15 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 161' ' ' ARG . 38.5 tp10 -34.78 -51.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.77 -75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 163' ' ' ASN . 0.1 OUTLIER -51.75 -97.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.412 ' C ' ' OE1' ' A' ' 151' ' ' GLU . 37.2 m -38.22 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 107.94 -82.58 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -31.18 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 175' ' ' LYS . 4.0 tt0 -73.09 -43.27 62.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.468 ' O ' ' CE ' ' A' ' 175' ' ' LYS . . . -61.94 -37.55 94.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -42.87 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -58.82 -55.98 28.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -60.94 -38.4 85.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.442 ' N ' ' HE3' ' A' ' 175' ' ' LYS . 6.7 ttt -67.83 -21.8 65.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.411 ' C ' ' N ' ' A' ' 179' ' ' ALA . 2.1 m-85 -97.78 -80.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 44.08 26.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 177' ' ' PHE . . . -170.23 150.06 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 87.2 -59.37 4.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.83 103.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.452 ' C ' ' N ' ' A' ' 134' ' ' MET . 41.5 t -56.39 -58.45 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 134' ' ' MET . 0.1 OUTLIER -39.4 -29.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.466 ' N ' HD22 ' A' ' 133' ' ' ASN . 0.0 OUTLIER -78.96 -56.9 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.965 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -49.87 -47.24 52.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 tt -68.01 -45.6 73.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 139' ' ' ASN . . . -52.6 -48.83 66.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 138' ' ' ALA . 9.3 m-20 -37.93 -41.94 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' LYS . 0.6 OUTLIER -89.8 -65.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 142' ' ' GLN . 0.2 OUTLIER -35.29 -61.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.604 ' HA ' ' HG ' ' A' ' 154' ' ' LEU . 3.6 pt20 -30.68 145.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.66 ' HA ' ' CZ2' ' A' ' 160' ' ' TRP . 0.1 OUTLIER 42.91 93.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 152' ' ' LYS . 5.7 ptmt -146.76 119.49 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 151' ' ' GLU . 0.4 OUTLIER -149.57 160.05 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -13.29 11.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 150' ' ' LYS . 1.0 OUTLIER 173.45 -173.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -40.25 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.456 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.669 ' H ' HG23 ' A' ' 148' ' ' THR . 1.6 mm-40 -45.34 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 147' ' ' ASP . 0.0 OUTLIER -56.46 88.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.483 ' HA ' ' CB ' ' A' ' 145' ' ' LYS . 1.4 tt0 -137.59 104.42 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.494 ' HB3' ' CG ' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -93.89 108.73 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.569 ' CG ' ' O ' ' A' ' 153' ' ' ASP . 0.0 OUTLIER -101.36 110.16 22.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.765 ' C ' HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.2 -160.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.48 ' O ' ' CG1' ' A' ' 157' ' ' VAL . 6.8 ttt180 -75.44 -45.33 39.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.627 ' H ' HD22 ' A' ' 154' ' ' LEU . 1.4 t70 -67.9 53.69 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 1.025 HG23 ' CB ' ' A' ' 161' ' ' ARG . 0.3 OUTLIER -79.3 -74.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.843 ' N ' HG22 ' A' ' 157' ' ' VAL . . . 31.1 -101.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 160' ' ' TRP . 50.0 m-20 -79.91 -45.77 17.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.733 ' CZ3' HG21 ' A' ' 164' ' ' ILE . 0.7 OUTLIER -41.8 -59.48 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 1.025 ' CB ' HG23 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -61.01 -68.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 161' ' ' ARG . 0.0 OUTLIER -25.96 -45.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' ARG . 4.2 m-20 -62.97 -73.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.733 HG21 ' CZ3' ' A' ' 160' ' ' TRP . 1.5 pp -57.21 -58.1 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.544 ' HB2' ' CD ' ' A' ' 161' ' ' ARG . 4.3 tp10 -32.33 -53.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.32 -71.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 65.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.0 t -153.44 -54.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -71.98 -78.89 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' MET . . . . . . . . . . . . . 9.8 mtt -52.04 -58.93 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.796 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 175' ' ' LYS . 1.4 tp10 -53.02 -34.91 58.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.84 77.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -63.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.43 -42.76 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . 0.428 ' CE ' ' N ' ' A' ' 176' ' ' MET . 1.7 ttpt -56.93 -56.29 23.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . 0.428 ' N ' ' CE ' ' A' ' 175' ' ' LYS . 12.0 ttt -62.11 -17.17 56.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.08 -83.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 179' ' ' ALA . 11.0 pt-20 39.02 54.69 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 178' ' ' GLU . . . -40.47 105.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 161.11 -69.14 0.24 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 60.69 90.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 stop_ save_