data_1paa_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 1paa _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 47.6 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.531 0.205 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -141.07 119.81 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 139' ' ' ARG . 5.9 t -71.13 111.23 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.84 2.85 47.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.403 HD13 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -91.9 -61.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.599 ' SG ' ' NE2' ' A' ' 150' ' ' HIS . 19.3 p -91.67 -15.03 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 2.0 t-20 87.42 -11.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.221 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.563 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.99 154.2 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.52 136.43 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 28.6 m-85 -124.42 165.08 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 143' ' ' ARG . 0.9 OUTLIER -75.63 -35.62 60.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 142' ' ' THR . 0.0 OUTLIER -106.43 164.23 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -80.57 -42.13 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 1.8 p-10 -46.67 -44.42 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.547 ' CD2' ' HD2' ' A' ' 143' ' ' ARG . 3.0 mp -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.6 tp -73.38 -41.63 63.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 151' ' ' ALA . 5.8 mt -66.12 -70.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.599 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 33.1 t60 -65.92 -47.26 75.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -90.41 1.03 57.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -114.41 -63.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -71.98 -72.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . 0.464 ' N ' HG21 ' A' ' 154' ' ' ILE . 8.8 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 75.7 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.486 0.184 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -129.06 137.9 51.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.0 t -83.97 111.62 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.07 3.36 29.89 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.02 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.8 p -90.66 -16.9 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.2 OUTLIER 91.54 -18.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.552 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 2.1 mtm180 -50.6 157.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -146.45 142.19 27.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 42.9 m-85 -127.42 169.54 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -36.96 35.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.73 161.48 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -76.67 -44.49 33.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.548 ' OD2' ' CD1' ' A' ' 146' ' ' LEU . 1.2 p-10 -48.16 -42.27 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.548 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 5.0 mp -61.01 -34.4 74.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.49 -39.61 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 151' ' ' ALA . 6.9 mt -68.05 -71.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.4 OUTLIER -38.07 -36.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.586 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.2 t60 -59.25 -51.49 69.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.33 -33.54 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -86.05 -6.57 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.1 OUTLIER -104.67 -67.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -68.77 -71.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . 0.43 ' N ' HG21 ' A' ' 154' ' ' ILE . 7.9 m-70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.574 0.226 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -126.76 135.6 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' ASN . 6.6 t -83.1 108.64 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.85 2.58 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.31 -63.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.648 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.0 p -91.06 -16.4 27.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.7 OUTLIER 91.23 -17.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.55 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 3.4 mtm180 -51.49 154.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.05 138.06 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 46.8 m-85 -123.87 169.01 12.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -79.58 -37.31 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.478 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.84 162.42 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -76.78 -44.56 32.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.3 p-10 -46.19 -44.79 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 141' ' ' PHE . 3.3 mp -60.2 -34.78 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.7 tp -73.47 -40.67 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 151' ' ' ALA . 12.6 mt -67.98 -68.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.9 OUTLIER -42.28 -35.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.648 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 25.6 t60 -59.73 -49.52 77.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.43 -35.38 75.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -85.14 -9.46 57.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.2 ttpp -99.93 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -70.34 -71.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.657 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 19.0 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.479 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -141.49 113.27 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.3 t -58.49 111.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.41 2.2 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.01 -63.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 19.7 p -90.24 -14.3 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 4.6 t-20 87.06 -13.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.635 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtp180 -51.79 154.83 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.31 135.33 26.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 33.7 m-85 -122.04 155.17 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.5 ' CG2' ' HG3' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -69.38 -18.51 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.458 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.512 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -118.93 166.33 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.408 ' HB2' ' CE1' ' A' ' 132' ' ' TYR . 0.0 OUTLIER -89.91 -29.83 18.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.9 p-10 -59.21 -44.53 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.512 ' CD2' ' HD3' ' A' ' 143' ' ' ARG . 3.0 mp -61.45 -31.84 71.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.44 -37.16 80.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.2 mt -72.66 -73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.4 OUTLIER -38.08 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 32.9 t60 -56.62 -46.52 80.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.558 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -61.19 -37.77 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -84.88 1.78 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -71.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -68.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.608 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 52.3 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.427 0.156 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.94 119.19 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 139' ' ' ARG . 6.4 t -66.75 113.51 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.91 2.79 48.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.86 -63.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 20.1 p -89.43 -17.77 28.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.609 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.4 t30 90.61 -14.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.568 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtm180 -54.29 154.83 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -142.66 134.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.468 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 52.2 m-85 -120.09 167.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 52.5 m -77.31 -36.96 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.462 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -107.16 163.34 13.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -77.79 -44.11 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 1.8 p-10 -46.39 -44.14 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.357 1.036 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 141' ' ' PHE . 3.2 mp -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.21 -40.88 64.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.433 ' CG1' ' NE ' ' A' ' 144' ' ' ARG . 12.3 mt -66.32 -68.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 153' ' ' LYS . 12.6 ttp-105 -41.59 -38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 28.2 t60 -58.17 -50.14 74.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.71 73.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -87.78 -6.44 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.1 ttpm? -103.46 -68.61 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -66.77 -67.82 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.533 0.206 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -137.15 124.12 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.1 t -69.44 112.66 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.3 2.62 35.98 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.435 1.084 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.44 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 22.8 p -90.67 -16.43 28.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 108.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.594 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.0 OUTLIER 89.2 -17.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.579 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 37.6 mtp180 -50.92 154.26 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -141.09 143.18 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 45.7 m-85 -127.65 172.99 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.4 m -75.59 -47.07 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.543 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.3 165.91 10.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 147' ' ' LEU . 11.5 ttt180 -74.55 -43.12 57.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.543 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.0 p-10 -43.39 -48.52 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.517 ' HB3' ' CD2' ' A' ' 141' ' ' PHE . 3.8 mp -58.25 -34.8 70.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.3 tp -73.14 -41.31 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.84 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 153' ' ' LYS . 9.3 mtm-85 -41.52 -38.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.556 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 25.5 t60 -56.5 -51.07 69.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.559 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.16 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.6 -8.72 58.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 149' ' ' ARG . 8.4 tttt -101.03 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -69.47 -73.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.556 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 31.8 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.456 0.17 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -136.51 105.37 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 139' ' ' ARG . 8.8 t -55.22 112.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.15 2.77 33.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.72 -63.21 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.593 ' SG ' ' NE2' ' A' ' 150' ' ' HIS . 19.6 p -90.34 -16.22 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 108.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 7.3 m-20 87.12 -10.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.549 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.4 OUTLIER -54.74 148.32 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -135.05 121.17 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 74.7 m-85 -108.1 163.31 13.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -30.75 57.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.483 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -113.36 162.88 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.8 ttt-85 -77.72 -44.03 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.483 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.0 p-10 -46.09 -43.85 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . 2.6 mp -60.91 -33.57 73.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.8 tp -73.12 -41.03 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.1 mt -67.5 -71.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -39.59 -43.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.593 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 22.6 t60 -52.67 -52.62 55.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.672 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.96 -5.89 58.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -107.94 -66.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.494 HG21 ' N ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -65.11 -73.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . 0.494 ' N ' HG21 ' A' ' 154' ' ' ILE . 8.9 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 36.9 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.209 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.44 108.01 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.2 t -59.23 111.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.01 1.75 38.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.31 -62.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 20.6 p -91.4 -14.41 30.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 8.2 m120 85.17 -9.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.621 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.97 150.53 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.72 123.24 19.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 66.3 m-85 -110.25 163.06 14.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -76.18 -29.43 57.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.14 162.73 16.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.242 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 147' ' ' LEU . 2.1 ttm105 -78.17 -42.93 30.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.455 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 1.6 p-10 -47.24 -42.52 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . 2.3 mp -62.0 -32.87 73.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.1 tp -74.81 -41.14 60.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.24 -70.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -50.36 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.573 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 17.8 t60 -42.83 -45.14 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 153' ' ' LYS . . . -63.39 -57.84 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -62.99 -2.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.214 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 151' ' ' ALA . 6.3 tttt -108.13 -63.61 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -78.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 20.7 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.542 0.211 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -146.42 103.84 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' ASN . 10.8 t -53.09 112.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 108.255 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.27 2.61 35.7 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.8 -63.53 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 21.0 p -90.31 -16.46 29.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.3 m120 88.72 -13.55 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.616 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.1 OUTLIER -47.61 149.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.82 123.63 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 41.8 m-85 -112.16 158.29 19.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 143' ' ' ARG . 0.5 OUTLIER -76.45 -8.96 58.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.51 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -129.43 167.42 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -89.86 -29.1 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.431 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.2 p-10 -59.65 -43.69 93.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.51 ' CD2' ' HD3' ' A' ' 143' ' ' ARG . 2.7 mp -62.62 -31.66 72.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.68 -37.37 79.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.5 mt -73.08 -73.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.0 OUTLIER -38.18 -37.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.6 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.1 t60 -56.63 -47.12 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.69 -37.25 81.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -85.99 3.13 43.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -109.12 -71.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -64.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.537 0.208 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -138.44 121.76 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 139' ' ' ARG . 10.9 t -67.38 115.24 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.37 4.91 38.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.25 -61.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 0.797 . . . . 0.0 109.233 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.5 p -92.4 -16.97 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 18.0 m-20 90.53 -18.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.582 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.6 mtm180 -48.07 154.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.08 136.21 28.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 50.4 m-85 -121.41 165.31 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.535 ' CG2' ' HG3' ' A' ' 143' ' ' ARG . 0.4 OUTLIER -77.61 -26.16 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.545 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.04 162.43 17.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.502 ' CZ ' HG12 ' A' ' 148' ' ' ILE . 1.4 tmt_? -79.22 -42.1 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.442 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.0 p-10 -48.5 -43.83 35.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.545 ' CD2' ' HD3' ' A' ' 143' ' ' ARG . 2.9 mp -60.62 -33.9 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.4 tp -73.6 -40.02 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 144' ' ' ARG . 6.3 mt -66.21 -72.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -31.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.629 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 30.5 t60 -64.45 -50.14 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.602 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -62.45 -27.52 69.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -96.59 3.03 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -116.97 -73.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -55.79 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.656 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -40.74 129.75 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 47.6 m-85 -38.26 90.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -141.07 119.81 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 139' ' ' ARG . 5.9 t -71.13 111.23 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.84 2.85 47.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.403 HD13 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -91.9 -61.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 19.3 p -91.67 -15.03 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 2.0 t-20 87.42 -11.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.221 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.563 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.99 154.2 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.52 136.43 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 28.6 m-85 -124.42 165.08 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 143' ' ' ARG . 0.9 OUTLIER -75.63 -35.62 60.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 142' ' ' THR . 0.0 OUTLIER -106.43 164.23 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -80.57 -42.13 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 1.8 p-10 -46.67 -44.42 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.547 ' CD2' ' HD2' ' A' ' 143' ' ' ARG . 3.0 mp -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.6 tp -73.38 -41.63 63.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 151' ' ' ALA . 5.8 mt -66.12 -70.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.92 -47.26 75.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.575 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -90.41 1.03 57.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.443 ' O ' ' OG ' ' A' ' 156' ' ' SER . 11.2 tttm -114.41 -63.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -71.98 -72.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.67 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.8 m-70 -80.52 17.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.67 ' C ' ' O ' ' A' ' 155' ' ' HIS . 33.5 m -11.69 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 137.29 119.51 1.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.29 -7.05 11.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 159' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.23 165.29 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 75.7 m-85 -84.96 85.38 7.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -129.06 137.9 51.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.0 t -83.97 111.62 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.07 3.36 29.89 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.02 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.8 p -90.66 -16.9 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.2 OUTLIER 91.54 -18.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.552 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 2.1 mtm180 -50.6 157.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -146.45 142.19 27.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 42.9 m-85 -127.42 169.54 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -36.96 35.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.73 161.48 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -76.67 -44.49 33.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.548 ' OD2' ' CD1' ' A' ' 146' ' ' LEU . 1.2 p-10 -48.16 -42.27 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.548 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 5.0 mp -61.01 -34.4 74.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.49 -39.61 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 151' ' ' ALA . 6.9 mt -68.05 -71.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.4 OUTLIER -38.07 -36.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 154' ' ' ILE . 29.2 t60 -59.25 -51.49 69.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.33 -33.54 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 32.4 mt-30 -86.05 -6.57 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.1 OUTLIER -104.67 -67.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -68.77 -71.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 156' ' ' SER . 7.9 m-70 -80.06 17.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.672 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.4 OUTLIER -9.32 80.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.919 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 170.28 109.52 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -135.18 130.03 34.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.86 165.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -92.24 84.82 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -126.76 135.6 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' ASN . 6.6 t -83.1 108.64 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.85 2.58 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.31 -63.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.616 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 21.0 p -91.06 -16.4 27.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.7 OUTLIER 91.23 -17.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.55 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 3.4 mtm180 -51.49 154.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.05 138.06 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 46.8 m-85 -123.87 169.01 12.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -79.58 -37.31 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.478 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.84 162.42 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -76.78 -44.56 32.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.3 p-10 -46.19 -44.79 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 141' ' ' PHE . 3.3 mp -60.2 -34.78 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.7 tp -73.47 -40.67 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 151' ' ' ALA . 12.6 mt -67.98 -68.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.9 OUTLIER -42.28 -35.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 154' ' ' ILE . 25.6 t60 -59.73 -49.52 77.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.43 -35.38 75.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 31.1 mt-30 -85.14 -9.46 57.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.2 ttpp -99.93 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -70.34 -71.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.809 ' O ' ' N ' ' A' ' 157' ' ' GLY . 8.2 m-70 -79.76 18.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.657 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.671 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.8 OUTLIER -9.32 71.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 174.48 109.96 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.069 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.413 ' OD1' ' HG3' ' A' ' 152' ' ' GLN . 10.8 m120 -125.42 -8.93 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -134.38 126.91 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ALA . 19.0 m-85 -36.03 88.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -141.49 113.27 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.3 t -58.49 111.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.41 2.2 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.01 -63.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 19.7 p -90.24 -14.3 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 4.6 t-20 87.06 -13.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.635 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtp180 -51.79 154.83 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.31 135.33 26.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 33.7 m-85 -122.04 155.17 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.5 ' CG2' ' HG3' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -69.38 -18.51 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.458 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.512 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -118.93 166.33 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.408 ' HB2' ' CE1' ' A' ' 132' ' ' TYR . 0.0 OUTLIER -89.91 -29.83 18.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.9 p-10 -59.21 -44.53 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.512 ' CD2' ' HD3' ' A' ' 143' ' ' ARG . 3.0 mp -61.45 -31.84 71.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.44 -37.16 80.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.2 mt -72.66 -73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.4 OUTLIER -38.08 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.58 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 32.9 t60 -56.62 -46.52 80.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.558 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -61.19 -37.77 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 156' ' ' SER . 22.3 mt-30 -84.88 1.78 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -71.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.411 ' C ' ' H ' ' A' ' 156' ' ' SER . 0.5 OUTLIER -69.98 -68.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.54 ' O ' ' O ' ' A' ' 156' ' ' SER . 5.5 m-70 -81.88 24.76 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.54 ' O ' ' O ' ' A' ' 155' ' ' HIS . 35.3 t -47.46 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 106.79 -104.98 2.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.0 -28.21 5.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -81.87 138.44 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 52.3 m-85 -44.93 87.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -135.94 119.19 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 139' ' ' ARG . 6.4 t -66.75 113.51 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.91 2.79 48.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.86 -63.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.1 p -89.43 -17.77 28.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.609 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.4 t30 90.61 -14.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.568 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtm180 -54.29 154.83 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -142.66 134.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.468 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 52.2 m-85 -120.09 167.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 52.5 m -77.31 -36.96 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.462 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -107.16 163.34 13.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -77.79 -44.11 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 1.8 p-10 -46.39 -44.14 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.357 1.036 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 141' ' ' PHE . 3.2 mp -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.21 -40.88 64.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.433 ' CG1' ' NE ' ' A' ' 144' ' ' ARG . 12.3 mt -66.32 -68.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 153' ' ' LYS . 12.6 ttp-105 -41.59 -38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 154' ' ' ILE . 28.2 t60 -58.17 -50.14 74.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.71 73.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 156' ' ' SER . 25.9 mt-30 -87.78 -6.44 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.1 ttpm? -103.46 -68.61 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -66.77 -67.82 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.607 ' O ' ' C ' ' A' ' 156' ' ' SER . 9.8 m-70 -83.38 21.14 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.607 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.0 OUTLIER -20.61 88.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.949 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 153.72 122.76 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 158' ' ' ASN . 0.7 OUTLIER -67.26 139.62 57.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -168.25 131.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' ALA . 64.5 m-85 -37.49 87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -137.15 124.12 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.1 t -69.44 112.66 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.3 2.62 35.98 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.435 1.084 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.44 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 22.8 p -90.67 -16.43 28.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 108.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.594 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.0 OUTLIER 89.2 -17.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.579 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 37.6 mtp180 -50.92 154.26 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -141.09 143.18 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 45.7 m-85 -127.65 172.99 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.4 m -75.59 -47.07 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.543 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.3 165.91 10.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 147' ' ' LEU . 11.5 ttt180 -74.55 -43.12 57.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.543 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.0 p-10 -43.39 -48.52 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.517 ' HB3' ' CD2' ' A' ' 141' ' ' PHE . 3.8 mp -58.25 -34.8 70.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.3 tp -73.14 -41.31 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.84 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 153' ' ' LYS . 9.3 mtm-85 -41.52 -38.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.518 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 25.5 t60 -56.5 -51.07 69.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.559 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 156' ' ' SER . . . -59.86 -36.16 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 109.358 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 1.0 OUTLIER -84.6 -8.72 58.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 149' ' ' ARG . 8.4 tttt -101.03 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -69.47 -73.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.1 m-70 -76.76 13.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.682 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -8.66 80.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . -61.69 -107.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -42.38 141.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 9.5 tp . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -44.89 142.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 31.8 m-85 -50.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -136.51 105.37 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 139' ' ' ARG . 8.8 t -55.22 112.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.15 2.77 33.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.72 -63.21 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 19.6 p -90.34 -16.22 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 108.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 7.3 m-20 87.12 -10.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.549 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.4 OUTLIER -54.74 148.32 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -135.05 121.17 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 74.7 m-85 -108.1 163.31 13.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -30.75 57.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.483 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -113.36 162.88 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.8 ttt-85 -77.72 -44.03 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.483 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.0 p-10 -46.09 -43.85 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . 2.6 mp -60.91 -33.57 73.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.8 tp -73.12 -41.03 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.1 mt -67.5 -71.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -39.59 -43.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 22.6 t60 -52.67 -52.62 55.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.672 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 22.4 mt-30 -87.96 -5.89 58.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -107.94 -66.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.494 HG21 ' N ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -65.11 -73.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.9 m-70 -77.68 5.84 8.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 155' ' ' HIS . 6.3 t -8.04 82.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 134.17 -103.55 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 157' ' ' GLY . 32.7 m120 -39.45 105.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.45 154.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 36.9 m-85 -66.77 86.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.44 108.01 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.2 t -59.23 111.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.01 1.75 38.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.31 -62.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 20.6 p -91.4 -14.41 30.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 8.2 m120 85.17 -9.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.621 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.97 150.53 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.72 123.24 19.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 66.3 m-85 -110.25 163.06 14.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -76.18 -29.43 57.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.14 162.73 16.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.242 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 147' ' ' LEU . 2.1 ttm105 -78.17 -42.93 30.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.455 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 1.6 p-10 -47.24 -42.52 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . 2.3 mp -62.0 -32.87 73.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.1 tp -74.81 -41.14 60.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.24 -70.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -50.36 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 17.8 t60 -42.83 -45.14 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.878 ' O ' ' N ' ' A' ' 156' ' ' SER . . . -63.39 -57.84 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.485 ' HG3' ' CA ' ' A' ' 157' ' ' GLY . 13.2 mt-30 -62.99 -2.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 151' ' ' ALA . 6.3 tttt -108.13 -63.61 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -78.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 156' ' ' SER . 6.6 m-70 -73.24 -79.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 151' ' ' ALA . 12.3 t 169.63 -173.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 156' ' ' SER . . . -103.19 -151.33 22.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.412 ' N ' ' ND2' ' A' ' 158' ' ' ASN . 1.5 m120 -114.1 134.25 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -136.74 130.66 32.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 20.7 m-85 -39.29 89.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -146.42 103.84 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' ASN . 10.8 t -53.09 112.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 108.255 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.27 2.61 35.7 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.8 -63.53 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 21.0 p -90.31 -16.46 29.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.3 m120 88.72 -13.55 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.616 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.1 OUTLIER -47.61 149.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.82 123.63 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 41.8 m-85 -112.16 158.29 19.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 143' ' ' ARG . 0.5 OUTLIER -76.45 -8.96 58.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.51 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -129.43 167.42 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' O ' ' CD ' ' A' ' 144' ' ' ARG . 0.0 OUTLIER -89.86 -29.1 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.431 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.2 p-10 -59.65 -43.69 93.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.51 ' CD2' ' HD3' ' A' ' 143' ' ' ARG . 2.7 mp -62.62 -31.66 72.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.68 -37.37 79.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.5 mt -73.08 -73.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.0 OUTLIER -38.18 -37.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.589 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.1 t60 -56.63 -47.12 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.69 -37.25 81.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 156' ' ' SER . 29.2 mt-30 -85.99 3.13 43.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -109.12 -71.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -64.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.533 ' O ' ' O ' ' A' ' 156' ' ' SER . 6.0 m-70 -85.04 28.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.533 ' O ' ' O ' ' A' ' 155' ' ' HIS . 2.9 p -43.49 175.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 103.54 -102.83 2.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -117.82 -27.82 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -136.24 133.16 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -38.8 88.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -138.44 121.76 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 139' ' ' ARG . 10.9 t -67.38 115.24 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.37 4.91 38.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.25 -61.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 0.797 . . . . 0.0 109.233 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.5 p -92.4 -16.97 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 18.0 m-20 90.53 -18.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.582 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.6 mtm180 -48.07 154.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.08 136.21 28.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 50.4 m-85 -121.41 165.31 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.535 ' CG2' ' HG3' ' A' ' 143' ' ' ARG . 0.4 OUTLIER -77.61 -26.16 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.545 ' HD3' ' CD2' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.04 162.43 17.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.502 ' CZ ' HG12 ' A' ' 148' ' ' ILE . 1.4 tmt_? -79.22 -42.1 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.442 ' OD1' ' HB2' ' A' ' 143' ' ' ARG . 2.0 p-10 -48.5 -43.83 35.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.545 ' CD2' ' HD3' ' A' ' 143' ' ' ARG . 2.9 mp -60.62 -33.9 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.4 tp -73.6 -40.02 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 144' ' ' ARG . 6.3 mt -66.21 -72.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -31.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.625 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 30.5 t60 -64.45 -50.14 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.602 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -62.45 -27.52 69.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.498 ' HA ' ' CB ' ' A' ' 156' ' ' SER . 65.5 mt-30 -96.59 3.03 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 156' ' ' SER . 15.5 ttpp -116.97 -73.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -55.79 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 156' ' ' SER . 16.1 m-70 -96.37 38.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' SER . . . . . 0.535 ' O ' ' O ' ' A' ' 153' ' ' LYS . 0.2 OUTLIER 173.59 -147.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 159' ' ' LEU . . . 107.4 -76.85 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' LEU . 52.9 m-20 -64.83 76.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 157' ' ' GLY . 1.5 mm? . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 47.6 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.531 0.205 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -141.07 119.81 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 139' ' ' ARG . 5.9 t -71.13 111.23 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.84 2.85 47.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -91.9 -61.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 19.3 p -91.67 -15.03 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 2.0 t-20 87.42 -11.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.221 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.562 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.99 154.2 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.52 136.43 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 28.6 m-85 -124.42 165.08 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' A' ' 143' ' ' ARG . 0.9 OUTLIER -75.63 -35.62 60.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.925 ' HD2' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -106.43 164.23 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -80.57 -42.13 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.783 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.67 -44.42 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.925 HD22 ' HD2' ' A' ' 143' ' ' ARG . 3.0 mp -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.6 tp -73.38 -41.63 63.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 151' ' ' ALA . 5.8 mt -66.12 -70.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 33.1 t60 -65.92 -47.26 75.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -90.41 1.03 57.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -114.41 -63.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -71.98 -72.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.456 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.8 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 75.7 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.486 0.184 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -129.06 137.9 51.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.0 t -83.97 111.62 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.07 3.36 29.89 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.4 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -94.02 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.8 p -90.66 -16.9 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.2 OUTLIER 91.54 -18.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.553 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 2.1 mtm180 -50.6 157.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -146.45 142.19 27.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 42.9 m-85 -127.42 169.54 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -36.96 35.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.743 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.73 161.48 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -76.67 -44.49 33.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.645 ' OD2' HD12 ' A' ' 146' ' ' LEU . 1.2 p-10 -48.16 -42.27 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.743 HD22 ' HD3' ' A' ' 143' ' ' ARG . 5.0 mp -61.01 -34.4 74.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.49 -39.61 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 151' ' ' ALA . 6.9 mt -68.05 -71.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.4 OUTLIER -38.07 -36.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.586 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.2 t60 -59.25 -51.49 69.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.33 -33.54 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -86.05 -6.57 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.1 OUTLIER -104.67 -67.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -68.77 -71.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.445 ' N ' HG22 ' A' ' 154' ' ' ILE . 7.9 m-70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.574 0.226 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -126.76 135.6 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' ASN . 6.6 t -83.1 108.64 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.85 2.58 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.31 -63.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.648 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.0 p -91.06 -16.4 27.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.7 OUTLIER 91.23 -17.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.55 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 3.4 mtm180 -51.49 154.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.05 138.06 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 46.8 m-85 -123.87 169.01 12.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -79.58 -37.31 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.783 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -105.84 162.42 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.752 ' HE ' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -76.78 -44.56 32.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.858 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.3 p-10 -46.19 -44.79 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.858 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.3 mp -60.2 -34.78 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.7 tp -73.47 -40.67 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.752 HD11 ' HE ' ' A' ' 144' ' ' ARG . 12.6 mt -67.98 -68.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.9 OUTLIER -42.28 -35.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.648 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 25.6 t60 -59.73 -49.52 77.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.43 -35.38 75.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -85.14 -9.46 57.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.2 ttpp -99.93 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -70.34 -71.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.469 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.2 m-70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.657 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 19.0 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.479 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -141.49 113.27 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.3 t -58.49 111.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.41 2.2 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.01 -63.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 19.7 p -90.24 -14.3 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 4.6 t-20 87.06 -13.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.635 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtp180 -51.79 154.83 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.31 135.33 26.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 33.7 m-85 -122.04 155.17 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -69.38 -18.51 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.458 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.939 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -118.93 166.33 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NE ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.91 -29.83 18.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.826 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.9 p-10 -59.21 -44.53 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.939 HD22 ' HD3' ' A' ' 143' ' ' ARG . 3.0 mp -61.45 -31.84 71.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.7 tp -68.44 -37.16 80.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.2 mt -72.66 -73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.4 OUTLIER -38.08 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 32.9 t60 -56.62 -46.52 80.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.558 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -61.19 -37.77 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -84.88 1.78 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -71.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -68.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.608 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 52.3 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.427 0.156 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.94 119.19 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 139' ' ' ARG . 6.4 t -66.75 113.51 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.91 2.79 48.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.86 -63.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 20.1 p -89.43 -17.77 28.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.609 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.4 t30 90.61 -14.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.568 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtm180 -54.29 154.83 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -142.66 134.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.469 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 52.2 m-85 -120.09 167.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 52.5 m -77.31 -36.96 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.772 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -107.16 163.34 13.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -77.79 -44.11 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.789 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.39 -44.14 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.357 1.036 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.789 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.2 mp -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.21 -40.88 64.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.433 ' CG1' ' NE ' ' A' ' 144' ' ' ARG . 12.3 mt -66.32 -68.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 153' ' ' LYS . 12.6 ttp-105 -41.59 -38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 28.2 t60 -58.17 -50.14 74.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.71 73.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -87.78 -6.44 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.1 ttpm? -103.46 -68.61 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -66.77 -67.82 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.435 ' N ' HG22 ' A' ' 154' ' ' ILE . 9.8 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.533 0.206 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -137.15 124.12 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.1 t -69.44 112.66 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.3 2.62 35.98 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.435 1.084 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.44 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.644 ' O ' ' ND2' ' A' ' 138' ' ' ASN . 22.8 p -90.67 -16.43 28.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 108.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.644 ' ND2' ' O ' ' A' ' 137' ' ' CYS . 0.3 OUTLIER 89.2 -17.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.578 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 37.6 mtp180 -50.92 154.26 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -141.09 143.18 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 45.7 m-85 -127.65 172.99 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.4 m -75.59 -47.07 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.3 165.91 10.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 147' ' ' LEU . 11.5 ttt180 -74.55 -43.12 57.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.868 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -43.39 -48.52 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.868 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.8 mp -58.25 -34.8 70.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.3 tp -73.14 -41.31 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.84 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 153' ' ' LYS . 9.3 mtm-85 -41.52 -38.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.535 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 25.5 t60 -56.5 -51.07 69.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.559 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.16 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.6 -8.72 58.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 149' ' ' ARG . 8.4 tttt -101.03 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -69.47 -73.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.507 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.1 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 31.8 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.456 0.17 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -136.51 105.37 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 139' ' ' ARG . 8.8 t -55.22 112.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.15 2.77 33.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -93.72 -63.21 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.577 ' SG ' ' NE2' ' A' ' 150' ' ' HIS . 19.6 p -90.34 -16.22 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 108.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 7.3 m-20 87.12 -10.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.549 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.4 OUTLIER -54.74 148.32 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -135.05 121.17 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 74.7 m-85 -108.1 163.31 13.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -30.75 57.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.786 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -113.36 162.88 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.8 ttt-85 -77.72 -44.03 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.829 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -46.09 -43.85 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.829 HD13 ' OD1' ' A' ' 145' ' ' ASP . 2.6 mp -60.91 -33.57 73.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.8 tp -73.12 -41.03 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.1 mt -67.5 -71.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -39.59 -43.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.577 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 22.6 t60 -52.67 -52.62 55.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.672 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.96 -5.89 58.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -107.94 -66.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -65.11 -73.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.554 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.9 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 36.9 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.209 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.44 108.01 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.2 t -59.23 111.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.01 1.75 38.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.31 -62.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 20.6 p -91.4 -14.41 30.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 8.2 m120 85.17 -9.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.621 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.97 150.53 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.72 123.24 19.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 66.3 m-85 -110.25 163.06 14.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -76.18 -29.43 57.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.803 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.14 162.73 16.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.242 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 147' ' ' LEU . 2.1 ttm105 -78.17 -42.93 30.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.777 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.6 p-10 -47.24 -42.52 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.803 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.3 mp -62.0 -32.87 73.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.1 tp -74.81 -41.14 60.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.24 -70.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 149' ' ' ARG . 0.0 OUTLIER -41.89 -50.36 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.556 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 17.8 t60 -42.83 -45.14 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 153' ' ' LYS . . . -63.39 -57.84 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -62.99 -2.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.214 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 151' ' ' ALA . 6.3 tttt -108.13 -63.61 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -75.75 -78.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.55 ' N ' HG22 ' A' ' 154' ' ' ILE . 6.6 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 20.7 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.542 0.211 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -146.42 103.84 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' ASN . 10.8 t -53.09 112.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 108.255 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.27 2.61 35.7 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.435 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.3 mp -92.8 -63.53 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 21.0 p -90.31 -16.46 29.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.3 m120 88.72 -13.55 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.615 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.1 OUTLIER -47.61 149.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.82 123.63 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 41.8 m-85 -112.16 158.29 19.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.5 OUTLIER -76.45 -8.96 58.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.94 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -129.43 167.42 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.725 HH21 HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.86 -29.1 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.804 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.2 p-10 -59.65 -43.69 93.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.94 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.7 mp -62.62 -31.66 72.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.1 tp -68.68 -37.37 79.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.725 HD11 HH21 ' A' ' 144' ' ' ARG . 3.5 mt -73.08 -73.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.0 OUTLIER -38.18 -37.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.6 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.1 t60 -56.63 -47.12 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.69 -37.25 81.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -85.99 3.13 43.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -109.12 -71.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -64.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.537 0.208 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -138.44 121.76 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.482 ' SG ' HD12 ' A' ' 136' ' ' LEU . 10.9 t -67.38 115.24 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.37 4.91 38.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.482 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.2 mp -96.25 -61.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 0.797 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.5 p -92.4 -16.97 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 5.6 m120 90.53 -18.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.583 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.6 mtm180 -48.07 154.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.08 136.21 28.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 50.4 m-85 -121.41 165.31 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.81 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.4 OUTLIER -77.61 -26.16 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.884 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.04 162.43 17.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.502 ' CZ ' HG12 ' A' ' 148' ' ' ILE . 1.4 tmt_? -79.22 -42.1 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.779 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -48.5 -43.83 35.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.884 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.9 mp -60.62 -33.9 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.4 tp -73.6 -40.02 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 144' ' ' ARG . 6.3 mt -66.21 -72.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -31.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.629 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 30.5 t60 -64.45 -50.14 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.602 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -62.45 -27.52 69.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -96.59 3.03 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -116.97 -73.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -57.4 -55.79 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.44 ' CG ' HG22 ' A' ' 154' ' ' ILE . 16.1 m-70 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.656 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -40.74 129.75 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 47.6 m-85 -38.26 90.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -141.07 119.81 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 139' ' ' ARG . 5.9 t -71.13 111.23 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.84 2.85 47.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -91.9 -61.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 19.3 p -91.67 -15.03 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 2.0 t-20 87.42 -11.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.221 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.562 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.99 154.2 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.52 136.43 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 28.6 m-85 -124.42 165.08 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' A' ' 143' ' ' ARG . 0.9 OUTLIER -75.63 -35.62 60.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.925 ' HD2' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -106.43 164.23 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -80.57 -42.13 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.783 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.67 -44.42 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.925 HD22 ' HD2' ' A' ' 143' ' ' ARG . 3.0 mp -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.6 tp -73.38 -41.63 63.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 151' ' ' ALA . 5.8 mt -66.12 -70.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.92 -47.26 75.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.575 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -90.41 1.03 57.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' A' ' 156' ' ' SER . 11.2 tttm -114.41 -63.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -71.98 -72.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.67 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.8 m-70 -80.52 17.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.67 ' C ' ' O ' ' A' ' 155' ' ' HIS . 33.5 m -11.69 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 137.29 119.51 1.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -117.29 -7.05 11.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.834 ' O ' HD13 ' A' ' 159' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.23 165.29 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 75.7 m-85 -84.96 85.38 7.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -129.06 137.9 51.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.0 t -83.97 111.62 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.07 3.36 29.89 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.4 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -94.02 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.8 p -90.66 -16.9 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.2 OUTLIER 91.54 -18.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.553 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 2.1 mtm180 -50.6 157.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -146.45 142.19 27.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 42.9 m-85 -127.42 169.54 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -36.96 35.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.743 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.73 161.48 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -76.67 -44.49 33.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' OD2' HD12 ' A' ' 146' ' ' LEU . 1.2 p-10 -48.16 -42.27 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.743 HD22 ' HD3' ' A' ' 143' ' ' ARG . 5.0 mp -61.01 -34.4 74.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.49 -39.61 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 151' ' ' ALA . 6.9 mt -68.05 -71.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.4 OUTLIER -38.07 -36.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 154' ' ' ILE . 29.2 t60 -59.25 -51.49 69.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.33 -33.54 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 32.4 mt-30 -86.05 -6.57 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.1 OUTLIER -104.67 -67.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -68.77 -71.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 156' ' ' SER . 7.9 m-70 -80.06 17.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.672 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.4 OUTLIER -9.32 80.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.919 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 170.28 109.52 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -135.18 130.03 34.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.86 165.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -92.24 84.82 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -126.76 135.6 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' ASN . 6.6 t -83.1 108.64 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.85 2.58 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.31 -63.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.616 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 21.0 p -91.06 -16.4 27.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.7 OUTLIER 91.23 -17.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.55 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 3.4 mtm180 -51.49 154.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.05 138.06 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 46.8 m-85 -123.87 169.01 12.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -79.58 -37.31 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.783 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -105.84 162.42 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.752 ' HE ' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -76.78 -44.56 32.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.858 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.3 p-10 -46.19 -44.79 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.858 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.3 mp -60.2 -34.78 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.7 tp -73.47 -40.67 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.752 HD11 ' HE ' ' A' ' 144' ' ' ARG . 12.6 mt -67.98 -68.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.9 OUTLIER -42.28 -35.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 154' ' ' ILE . 25.6 t60 -59.73 -49.52 77.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.43 -35.38 75.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 31.1 mt-30 -85.14 -9.46 57.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.2 ttpp -99.93 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -70.34 -71.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.809 ' O ' ' N ' ' A' ' 157' ' ' GLY . 8.2 m-70 -79.76 18.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.657 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.671 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.8 OUTLIER -9.32 71.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 174.48 109.96 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.069 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ASN . . . . . 0.413 ' OD1' ' HG3' ' A' ' 152' ' ' GLN . 10.8 m120 -125.42 -8.93 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -134.38 126.91 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ALA . 19.0 m-85 -36.03 88.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -141.49 113.27 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.3 t -58.49 111.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.41 2.2 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.01 -63.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 19.7 p -90.24 -14.3 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 4.6 t-20 87.06 -13.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.635 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtp180 -51.79 154.83 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.31 135.33 26.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 33.7 m-85 -122.04 155.17 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -69.38 -18.51 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.458 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.939 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -118.93 166.33 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NE ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.91 -29.83 18.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.826 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.9 p-10 -59.21 -44.53 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.939 HD22 ' HD3' ' A' ' 143' ' ' ARG . 3.0 mp -61.45 -31.84 71.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.7 tp -68.44 -37.16 80.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.2 mt -72.66 -73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.4 OUTLIER -38.08 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.58 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 32.9 t60 -56.62 -46.52 80.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.558 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -61.19 -37.77 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 156' ' ' SER . 22.3 mt-30 -84.88 1.78 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -71.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 156' ' ' SER . 0.5 OUTLIER -69.98 -68.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.54 ' O ' ' O ' ' A' ' 156' ' ' SER . 5.5 m-70 -81.88 24.76 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.54 ' O ' ' O ' ' A' ' 155' ' ' HIS . 35.3 t -47.46 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 106.79 -104.98 2.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -119.0 -28.21 5.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -81.87 138.44 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 52.3 m-85 -44.93 87.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -135.94 119.19 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 139' ' ' ARG . 6.4 t -66.75 113.51 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.91 2.79 48.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.86 -63.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.1 p -89.43 -17.77 28.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.609 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.4 t30 90.61 -14.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.568 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtm180 -54.29 154.83 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -142.66 134.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.469 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 52.2 m-85 -120.09 167.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 52.5 m -77.31 -36.96 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.772 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -107.16 163.34 13.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -77.79 -44.11 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.789 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.39 -44.14 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.357 1.036 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.789 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.2 mp -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.21 -40.88 64.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.433 ' CG1' ' NE ' ' A' ' 144' ' ' ARG . 12.3 mt -66.32 -68.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 153' ' ' LYS . 12.6 ttp-105 -41.59 -38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 154' ' ' ILE . 28.2 t60 -58.17 -50.14 74.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.71 73.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 156' ' ' SER . 25.9 mt-30 -87.78 -6.44 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.1 ttpm? -103.46 -68.61 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -66.77 -67.82 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.607 ' O ' ' C ' ' A' ' 156' ' ' SER . 9.8 m-70 -83.38 21.14 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.607 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.0 OUTLIER -20.61 88.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.949 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 153.72 122.76 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 158' ' ' ASN . 0.7 OUTLIER -67.26 139.62 57.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -168.25 131.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' ALA . 64.5 m-85 -37.49 87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -137.15 124.12 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.1 t -69.44 112.66 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.3 2.62 35.98 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.435 1.084 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.44 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.644 ' O ' ' ND2' ' A' ' 138' ' ' ASN . 22.8 p -90.67 -16.43 28.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 108.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.644 ' ND2' ' O ' ' A' ' 137' ' ' CYS . 0.3 OUTLIER 89.2 -17.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.578 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 37.6 mtp180 -50.92 154.26 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -141.09 143.18 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 45.7 m-85 -127.65 172.99 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.4 m -75.59 -47.07 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.3 165.91 10.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 147' ' ' LEU . 11.5 ttt180 -74.55 -43.12 57.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.868 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -43.39 -48.52 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.868 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.8 mp -58.25 -34.8 70.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.3 tp -73.14 -41.31 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.84 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 153' ' ' LYS . 9.3 mtm-85 -41.52 -38.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.518 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 25.5 t60 -56.5 -51.07 69.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.559 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 156' ' ' SER . . . -59.86 -36.16 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 109.358 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 1.0 OUTLIER -84.6 -8.72 58.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 149' ' ' ARG . 8.4 tttt -101.03 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -69.47 -73.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.1 m-70 -76.76 13.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.682 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -8.66 80.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . -61.69 -107.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -42.38 141.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 9.5 tp . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -44.89 142.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 31.8 m-85 -50.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -136.51 105.37 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 139' ' ' ARG . 8.8 t -55.22 112.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.15 2.77 33.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -93.72 -63.21 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 19.6 p -90.34 -16.22 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 108.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 7.3 m-20 87.12 -10.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.549 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.4 OUTLIER -54.74 148.32 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -135.05 121.17 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 74.7 m-85 -108.1 163.31 13.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -30.75 57.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.786 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -113.36 162.88 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.8 ttt-85 -77.72 -44.03 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.829 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -46.09 -43.85 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.829 HD13 ' OD1' ' A' ' 145' ' ' ASP . 2.6 mp -60.91 -33.57 73.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.8 tp -73.12 -41.03 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.1 mt -67.5 -71.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -39.59 -43.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 22.6 t60 -52.67 -52.62 55.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.672 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.64 ' HB1' HD23 ' A' ' 159' ' ' LEU . . . -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 22.4 mt-30 -87.96 -5.89 58.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -107.94 -66.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -65.11 -73.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.9 m-70 -77.68 5.84 8.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 155' ' ' HIS . 6.3 t -8.04 82.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 134.17 -103.55 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 157' ' ' GLY . 32.7 m120 -39.45 105.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.64 HD23 ' HB1' ' A' ' 151' ' ' ALA . 1.6 tm? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.45 154.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 36.9 m-85 -66.77 86.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.44 108.01 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.2 t -59.23 111.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.01 1.75 38.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.31 -62.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 20.6 p -91.4 -14.41 30.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 8.2 m120 85.17 -9.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.621 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.97 150.53 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.72 123.24 19.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 66.3 m-85 -110.25 163.06 14.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -76.18 -29.43 57.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.803 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.14 162.73 16.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.242 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 147' ' ' LEU . 2.1 ttm105 -78.17 -42.93 30.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.777 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.6 p-10 -47.24 -42.52 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.803 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.3 mp -62.0 -32.87 73.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.1 tp -74.81 -41.14 60.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.24 -70.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 149' ' ' ARG . 0.0 OUTLIER -41.89 -50.36 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 17.8 t60 -42.83 -45.14 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.878 ' O ' ' N ' ' A' ' 156' ' ' SER . . . -63.39 -57.84 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.485 ' HG3' ' CA ' ' A' ' 157' ' ' GLY . 13.2 mt-30 -62.99 -2.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 151' ' ' ALA . 6.3 tttt -108.13 -63.61 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -75.75 -78.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.55 ' N ' HG22 ' A' ' 154' ' ' ILE . 6.6 m-70 -73.24 -79.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 151' ' ' ALA . 12.3 t 169.63 -173.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 156' ' ' SER . . . -103.19 -151.33 22.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -114.1 134.25 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 159' ' ' LEU . 8.8 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -136.74 130.66 32.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 20.7 m-85 -39.29 89.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -146.42 103.84 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' ASN . 10.8 t -53.09 112.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 108.255 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.27 2.61 35.7 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.435 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.3 mp -92.8 -63.53 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 21.0 p -90.31 -16.46 29.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.3 m120 88.72 -13.55 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.615 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.1 OUTLIER -47.61 149.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.82 123.63 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 41.8 m-85 -112.16 158.29 19.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.5 OUTLIER -76.45 -8.96 58.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.94 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -129.43 167.42 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.725 HH21 HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.86 -29.1 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.804 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.2 p-10 -59.65 -43.69 93.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.94 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.7 mp -62.62 -31.66 72.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.1 tp -68.68 -37.37 79.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.725 HD11 HH21 ' A' ' 144' ' ' ARG . 3.5 mt -73.08 -73.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.0 OUTLIER -38.18 -37.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.589 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.1 t60 -56.63 -47.12 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.69 -37.25 81.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 156' ' ' SER . 29.2 mt-30 -85.99 3.13 43.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -109.12 -71.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -64.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.533 ' O ' ' O ' ' A' ' 156' ' ' SER . 6.0 m-70 -85.04 28.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.533 ' O ' ' O ' ' A' ' 155' ' ' HIS . 2.9 p -43.49 175.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 103.54 -102.83 2.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -117.82 -27.82 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 159' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -136.24 133.16 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -38.8 88.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -138.44 121.76 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.482 ' SG ' HD12 ' A' ' 136' ' ' LEU . 10.9 t -67.38 115.24 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.37 4.91 38.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.482 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.2 mp -96.25 -61.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 0.797 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.5 p -92.4 -16.97 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 5.6 m120 90.53 -18.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.583 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.6 mtm180 -48.07 154.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.08 136.21 28.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 50.4 m-85 -121.41 165.31 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.81 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.4 OUTLIER -77.61 -26.16 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.884 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.04 162.43 17.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.502 ' CZ ' HG12 ' A' ' 148' ' ' ILE . 1.4 tmt_? -79.22 -42.1 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.779 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -48.5 -43.83 35.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.884 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.9 mp -60.62 -33.9 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.4 tp -73.6 -40.02 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 144' ' ' ARG . 6.3 mt -66.21 -72.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -31.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.625 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 30.5 t60 -64.45 -50.14 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.602 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -62.45 -27.52 69.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.516 ' HA ' ' CB ' ' A' ' 156' ' ' SER . 65.5 mt-30 -96.59 3.03 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 156' ' ' SER . 15.5 ttpp -116.97 -73.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -57.4 -55.79 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.44 ' CG ' HG22 ' A' ' 154' ' ' ILE . 16.1 m-70 -96.37 38.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' SER . . . . . 0.535 ' O ' ' O ' ' A' ' 153' ' ' LYS . 0.2 OUTLIER 173.59 -147.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.709 ' O ' HD22 ' A' ' 159' ' ' LEU . . . 107.4 -76.85 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' LEU . 52.9 m-20 -64.83 76.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.709 HD22 ' O ' ' A' ' 157' ' ' GLY . 1.5 mm? . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 47.6 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.531 0.205 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -141.07 119.81 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 139' ' ' ARG . 5.9 t -71.13 111.23 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.84 2.85 47.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -91.9 -61.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 19.3 p -91.67 -15.03 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 2.0 t-20 87.42 -11.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.221 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.562 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.99 154.2 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.52 136.43 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 28.6 m-85 -124.42 165.08 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' A' ' 143' ' ' ARG . 0.9 OUTLIER -75.63 -35.62 60.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.925 ' HD2' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -106.43 164.23 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -80.57 -42.13 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.783 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.67 -44.42 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.925 HD22 ' HD2' ' A' ' 143' ' ' ARG . 3.0 mp -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.6 tp -73.38 -41.63 63.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 151' ' ' ALA . 5.8 mt -66.12 -70.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 33.1 t60 -65.92 -47.26 75.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.575 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -90.41 1.03 57.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -114.41 -63.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -71.98 -72.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.456 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.8 m-70 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 75.7 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.486 0.184 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -129.06 137.9 51.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.0 t -83.97 111.62 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.07 3.36 29.89 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.4 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -94.02 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.8 p -90.66 -16.9 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.2 OUTLIER 91.54 -18.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.553 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 2.1 mtm180 -50.6 157.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -146.45 142.19 27.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 42.9 m-85 -127.42 169.54 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -36.96 35.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.743 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.73 161.48 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -76.67 -44.49 33.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.645 ' OD2' HD12 ' A' ' 146' ' ' LEU . 1.2 p-10 -48.16 -42.27 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.743 HD22 ' HD3' ' A' ' 143' ' ' ARG . 5.0 mp -61.01 -34.4 74.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.49 -39.61 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 151' ' ' ALA . 6.9 mt -68.05 -71.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.4 OUTLIER -38.07 -36.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.586 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.2 t60 -59.25 -51.49 69.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.33 -33.54 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -86.05 -6.57 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.1 OUTLIER -104.67 -67.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -68.77 -71.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.445 ' N ' HG22 ' A' ' 154' ' ' ILE . 7.9 m-70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.574 0.226 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -126.76 135.6 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' ASN . 6.6 t -83.1 108.64 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.85 2.58 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.31 -63.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.648 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.0 p -91.06 -16.4 27.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.7 OUTLIER 91.23 -17.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.55 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 3.4 mtm180 -51.49 154.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.05 138.06 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 46.8 m-85 -123.87 169.01 12.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -79.58 -37.31 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.783 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -105.84 162.42 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.752 ' HE ' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -76.78 -44.56 32.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.858 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.3 p-10 -46.19 -44.79 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.858 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.3 mp -60.2 -34.78 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.7 tp -73.47 -40.67 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.752 HD11 ' HE ' ' A' ' 144' ' ' ARG . 12.6 mt -67.98 -68.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.9 OUTLIER -42.28 -35.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.648 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 25.6 t60 -59.73 -49.52 77.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.43 -35.38 75.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -85.14 -9.46 57.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.2 ttpp -99.93 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -70.34 -71.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.469 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.2 m-70 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.657 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 19.0 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.479 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -141.49 113.27 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.3 t -58.49 111.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.41 2.2 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.01 -63.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 19.7 p -90.24 -14.3 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 4.6 t-20 87.06 -13.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.635 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtp180 -51.79 154.83 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.31 135.33 26.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 33.7 m-85 -122.04 155.17 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -69.38 -18.51 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.458 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.939 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -118.93 166.33 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NE ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.91 -29.83 18.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.826 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.9 p-10 -59.21 -44.53 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.939 HD22 ' HD3' ' A' ' 143' ' ' ARG . 3.0 mp -61.45 -31.84 71.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.7 tp -68.44 -37.16 80.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.2 mt -72.66 -73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.4 OUTLIER -38.08 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 32.9 t60 -56.62 -46.52 80.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.558 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -61.19 -37.77 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -84.88 1.78 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -71.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -68.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.608 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 52.3 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.427 0.156 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.94 119.19 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 139' ' ' ARG . 6.4 t -66.75 113.51 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.91 2.79 48.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.86 -63.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 20.1 p -89.43 -17.77 28.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.609 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.4 t30 90.61 -14.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.568 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtm180 -54.29 154.83 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -142.66 134.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.469 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 52.2 m-85 -120.09 167.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 52.5 m -77.31 -36.96 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.772 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -107.16 163.34 13.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -77.79 -44.11 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.789 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.39 -44.14 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.357 1.036 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.789 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.2 mp -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.21 -40.88 64.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.433 ' CG1' ' NE ' ' A' ' 144' ' ' ARG . 12.3 mt -66.32 -68.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 153' ' ' LYS . 12.6 ttp-105 -41.59 -38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 28.2 t60 -58.17 -50.14 74.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.71 73.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -87.78 -6.44 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.1 ttpm? -103.46 -68.61 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -66.77 -67.82 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.435 ' N ' HG22 ' A' ' 154' ' ' ILE . 9.8 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.533 0.206 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -137.15 124.12 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.1 t -69.44 112.66 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.3 2.62 35.98 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.435 1.084 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.44 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 22.8 p -90.67 -16.43 28.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 108.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.594 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.0 OUTLIER 89.2 -17.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.578 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 37.6 mtp180 -50.92 154.26 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -141.09 143.18 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 45.7 m-85 -127.65 172.99 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.4 m -75.59 -47.07 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.3 165.91 10.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 147' ' ' LEU . 11.5 ttt180 -74.55 -43.12 57.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.868 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -43.39 -48.52 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.868 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.8 mp -58.25 -34.8 70.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.3 tp -73.14 -41.31 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.84 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 153' ' ' LYS . 9.3 mtm-85 -41.52 -38.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.535 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 25.5 t60 -56.5 -51.07 69.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.559 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.16 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -84.6 -8.72 58.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 149' ' ' ARG . 8.4 tttt -101.03 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -69.47 -73.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.507 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.1 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 31.8 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.456 0.17 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -136.51 105.37 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 139' ' ' ARG . 8.8 t -55.22 112.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.15 2.77 33.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -93.72 -63.21 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.577 ' SG ' ' NE2' ' A' ' 150' ' ' HIS . 19.6 p -90.34 -16.22 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 108.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 7.3 m-20 87.12 -10.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.549 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.4 OUTLIER -54.74 148.32 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -135.05 121.17 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 74.7 m-85 -108.1 163.31 13.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -30.75 57.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.786 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -113.36 162.88 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.8 ttt-85 -77.72 -44.03 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.829 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -46.09 -43.85 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.829 HD13 ' OD1' ' A' ' 145' ' ' ASP . 2.6 mp -60.91 -33.57 73.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.8 tp -73.12 -41.03 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.1 mt -67.5 -71.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -39.59 -43.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.577 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 22.6 t60 -52.67 -52.62 55.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.672 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.96 -5.89 58.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -107.94 -66.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -65.11 -73.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.554 ' N ' HG22 ' A' ' 154' ' ' ILE . 8.9 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 36.9 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.54 0.209 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.44 108.01 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.2 t -59.23 111.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.01 1.75 38.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.31 -62.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 20.6 p -91.4 -14.41 30.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 8.2 m120 85.17 -9.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.621 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.97 150.53 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.72 123.24 19.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 66.3 m-85 -110.25 163.06 14.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -76.18 -29.43 57.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.803 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.14 162.73 16.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.242 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 147' ' ' LEU . 2.1 ttm105 -78.17 -42.93 30.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.777 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.6 p-10 -47.24 -42.52 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.803 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.3 mp -62.0 -32.87 73.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.1 tp -74.81 -41.14 60.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.24 -70.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 149' ' ' ARG . 0.0 OUTLIER -41.89 -50.36 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.556 ' NE2' ' SG ' ' A' ' 137' ' ' CYS . 17.8 t60 -42.83 -45.14 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 153' ' ' LYS . . . -63.39 -57.84 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -62.99 -2.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.214 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 151' ' ' ALA . 6.3 tttt -108.13 -63.61 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -75.75 -78.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.55 ' N ' HG22 ' A' ' 154' ' ' ILE . 6.6 m-70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 20.7 m-85 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.542 0.211 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -146.42 103.84 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' ASN . 10.8 t -53.09 112.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 108.255 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.27 2.61 35.7 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.435 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.3 mp -92.8 -63.53 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 21.0 p -90.31 -16.46 29.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.3 m120 88.72 -13.55 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.615 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.1 OUTLIER -47.61 149.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.82 123.63 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 41.8 m-85 -112.16 158.29 19.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.5 OUTLIER -76.45 -8.96 58.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.94 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -129.43 167.42 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.725 HH21 HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.86 -29.1 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.804 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.2 p-10 -59.65 -43.69 93.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.94 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.7 mp -62.62 -31.66 72.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.1 tp -68.68 -37.37 79.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.725 HD11 HH21 ' A' ' 144' ' ' ARG . 3.5 mt -73.08 -73.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.0 OUTLIER -38.18 -37.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.6 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.1 t60 -56.63 -47.12 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.69 -37.25 81.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -85.99 3.13 43.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -109.12 -71.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -64.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.537 0.208 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -138.44 121.76 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.482 ' SG ' HD12 ' A' ' 136' ' ' LEU . 10.9 t -67.38 115.24 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.37 4.91 38.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.482 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.2 mp -96.25 -61.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 0.797 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.629 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.5 p -92.4 -16.97 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 18.0 m-20 90.53 -18.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.583 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.6 mtm180 -48.07 154.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.08 136.21 28.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 50.4 m-85 -121.41 165.31 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.81 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.4 OUTLIER -77.61 -26.16 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.884 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.04 162.43 17.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.502 ' CZ ' HG12 ' A' ' 148' ' ' ILE . 1.4 tmt_? -79.22 -42.1 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.779 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -48.5 -43.83 35.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.884 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.9 mp -60.62 -33.9 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.4 tp -73.6 -40.02 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 144' ' ' ARG . 6.3 mt -66.21 -72.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -31.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.629 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 30.5 t60 -64.45 -50.14 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.602 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -62.45 -27.52 69.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -96.59 3.03 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -116.97 -73.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -57.4 -55.79 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.44 ' CG ' HG22 ' A' ' 154' ' ' ILE . 16.1 m-70 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.656 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -40.74 129.75 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 47.6 m-85 -38.26 90.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -141.07 119.81 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 139' ' ' ARG . 5.9 t -71.13 111.23 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.84 2.85 47.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -91.9 -61.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 19.3 p -91.67 -15.03 29.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 2.0 t-20 87.42 -11.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.221 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.562 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.99 154.2 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.52 136.43 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 28.6 m-85 -124.42 165.08 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.611 ' HB ' ' CZ ' ' A' ' 143' ' ' ARG . 0.9 OUTLIER -75.63 -35.62 60.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.925 ' HD2' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -106.43 164.23 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.1 OUTLIER -80.57 -42.13 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.783 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.67 -44.42 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.416 1.072 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.925 HD22 ' HD2' ' A' ' 143' ' ' ARG . 3.0 mp -60.09 -34.39 73.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.6 tp -73.38 -41.63 63.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 151' ' ' ALA . 5.8 mt -66.12 -70.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.92 -47.26 75.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.575 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.914 ' HB1' HD21 ' A' ' 158' ' ' ASN . . . -65.7 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -90.41 1.03 57.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' A' ' 156' ' ' SER . 11.2 tttm -114.41 -63.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -71.98 -72.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.67 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.8 m-70 -80.52 17.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.67 ' C ' ' O ' ' A' ' 155' ' ' HIS . 33.5 m -11.69 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 137.29 119.51 1.82 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.914 HD21 ' HB1' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -117.29 -7.05 11.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.234 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.834 ' O ' HD13 ' A' ' 159' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.23 165.29 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 75.7 m-85 -84.96 85.38 7.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -129.06 137.9 51.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.0 t -83.97 111.62 19.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.07 3.36 29.89 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.4 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -94.02 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.8 p -90.66 -16.9 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.2 OUTLIER 91.54 -18.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.553 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 2.1 mtm180 -50.6 157.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -146.45 142.19 27.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.456 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 42.9 m-85 -127.42 169.54 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -36.96 35.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.743 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.73 161.48 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -76.67 -44.49 33.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' OD2' HD12 ' A' ' 146' ' ' LEU . 1.2 p-10 -48.16 -42.27 29.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.743 HD22 ' HD3' ' A' ' 143' ' ' ARG . 5.0 mp -61.01 -34.4 74.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.49 -39.61 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 151' ' ' ALA . 6.9 mt -68.05 -71.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.4 OUTLIER -38.07 -36.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 154' ' ' ILE . 29.2 t60 -59.25 -51.49 69.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.664 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.33 -33.54 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.405 1.065 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 32.4 mt-30 -86.05 -6.57 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.1 OUTLIER -104.67 -67.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.2 OUTLIER -68.77 -71.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 156' ' ' SER . 7.9 m-70 -80.06 17.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.672 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.4 OUTLIER -9.32 80.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.919 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 170.28 109.52 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -135.18 130.03 34.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.86 165.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -92.24 84.82 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -126.76 135.6 51.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 138' ' ' ASN . 6.6 t -83.1 108.64 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.85 2.58 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.31 -63.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.616 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 21.0 p -91.06 -16.4 27.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.7 OUTLIER 91.23 -17.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.55 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 3.4 mtm180 -51.49 154.91 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.05 138.06 29.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 46.8 m-85 -123.87 169.01 12.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.6 m -79.58 -37.31 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.783 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -105.84 162.42 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.752 ' HE ' HD11 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -76.78 -44.56 32.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.858 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.3 p-10 -46.19 -44.79 16.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.858 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.3 mp -60.2 -34.78 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.7 tp -73.47 -40.67 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.752 HD11 ' HE ' ' A' ' 144' ' ' ARG . 12.6 mt -67.98 -68.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.9 OUTLIER -42.28 -35.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 154' ' ' ILE . 25.6 t60 -59.73 -49.52 77.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.43 -35.38 75.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 31.1 mt-30 -85.14 -9.46 57.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.2 ttpp -99.93 -66.3 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -70.34 -71.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.809 ' O ' ' N ' ' A' ' 157' ' ' GLY . 8.2 m-70 -79.76 18.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.657 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.671 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.8 OUTLIER -9.32 71.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 174.48 109.96 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.069 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.413 ' OD1' ' HG3' ' A' ' 152' ' ' GLN . 10.8 m120 -125.42 -8.93 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -134.38 126.91 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' ALA . 19.0 m-85 -36.03 88.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -141.49 113.27 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.3 t -58.49 111.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.41 2.2 39.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.01 -63.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 19.7 p -90.24 -14.3 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 4.6 t-20 87.06 -13.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.635 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtp180 -51.79 154.83 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.31 135.33 26.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 33.7 m-85 -122.04 155.17 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.6 OUTLIER -69.38 -18.51 63.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.458 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.939 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -118.93 166.33 12.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.459 ' NE ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.91 -29.83 18.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.826 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.9 p-10 -59.21 -44.53 92.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.939 HD22 ' HD3' ' A' ' 143' ' ' ARG . 3.0 mp -61.45 -31.84 71.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.7 tp -68.44 -37.16 80.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 151' ' ' ALA . 3.2 mt -72.66 -73.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.4 OUTLIER -38.08 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.58 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 32.9 t60 -56.62 -46.52 80.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.558 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -61.19 -37.77 84.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 156' ' ' SER . 22.3 mt-30 -84.88 1.78 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -71.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 156' ' ' SER . 0.5 OUTLIER -69.98 -68.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.54 ' O ' ' O ' ' A' ' 156' ' ' SER . 5.5 m-70 -81.88 24.76 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.54 ' O ' ' O ' ' A' ' 155' ' ' HIS . 35.3 t -47.46 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.619 ' C ' HD22 ' A' ' 158' ' ' ASN . . . 106.79 -104.98 2.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.619 HD22 ' C ' ' A' ' 157' ' ' GLY . 0.9 OUTLIER -119.0 -28.21 5.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -81.87 138.44 35.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 52.3 m-85 -44.93 87.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -135.94 119.19 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 139' ' ' ARG . 6.4 t -66.75 113.51 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.91 2.79 48.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.526 1.142 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 mp -93.86 -63.64 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.609 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 20.1 p -89.43 -17.77 28.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.609 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.4 t30 90.61 -14.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.568 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.3 mtm180 -54.29 154.83 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -142.66 134.79 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.469 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 52.2 m-85 -120.09 167.61 12.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 52.5 m -77.31 -36.96 53.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.606 1.191 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.772 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -107.16 163.34 13.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -77.79 -44.11 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.789 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.8 p-10 -46.39 -44.14 16.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.357 1.036 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.789 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.2 mp -60.49 -34.4 74.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.6 tp -73.21 -40.88 64.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.433 ' CG1' ' NE ' ' A' ' 144' ' ' ARG . 12.3 mt -66.32 -68.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 153' ' ' LYS . 12.6 ttp-105 -41.59 -38.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.169 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 154' ' ' ILE . 28.2 t60 -58.17 -50.14 74.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.71 73.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 156' ' ' SER . 25.9 mt-30 -87.78 -6.44 58.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 149' ' ' ARG . 2.1 ttpm? -103.46 -68.61 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -66.77 -67.82 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.607 ' O ' ' C ' ' A' ' 156' ' ' SER . 9.8 m-70 -83.38 21.14 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.573 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.607 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.0 OUTLIER -20.61 88.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.949 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 153.72 122.76 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 158' ' ' ASN . 0.7 OUTLIER -67.26 139.62 57.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.236 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -168.25 131.73 1.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.362 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' ALA . 64.5 m-85 -37.49 87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -137.15 124.12 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.1 t -69.44 112.66 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.3 2.62 35.98 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.435 1.084 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.44 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 22.8 p -90.67 -16.43 28.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 108.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.594 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 0.0 OUTLIER 89.2 -17.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.578 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 37.6 mtp180 -50.92 154.26 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -141.09 143.18 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 45.7 m-85 -127.65 172.99 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.4 m -75.59 -47.07 28.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -105.3 165.91 10.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 147' ' ' LEU . 11.5 ttt180 -74.55 -43.12 57.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.868 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -43.39 -48.52 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.868 HD13 ' OD1' ' A' ' 145' ' ' ASP . 3.8 mp -58.25 -34.8 70.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.3 tp -73.14 -41.31 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.2 mt -65.84 -68.96 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 153' ' ' LYS . 9.3 mtm-85 -41.52 -38.93 1.42 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.518 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 25.5 t60 -56.5 -51.07 69.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.559 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 156' ' ' SER . . . -59.86 -36.16 76.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 0.0 109.358 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 1.0 OUTLIER -84.6 -8.72 58.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 149' ' ' ARG . 8.4 tttt -101.03 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -69.47 -73.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.1 m-70 -76.76 13.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.682 ' C ' ' O ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -8.66 80.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.949 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . -61.69 -107.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -42.38 141.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 0.8 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 9.5 tp . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -44.89 142.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 31.8 m-85 -50.18 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -136.51 105.37 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 139' ' ' ARG . 8.8 t -55.22 112.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.15 2.77 33.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.1 mp -93.72 -63.21 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 138' ' ' ASN . 19.6 p -90.34 -16.22 29.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 108.36 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.569 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 7.3 m-20 87.12 -10.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.549 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.4 OUTLIER -54.74 148.32 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -135.05 121.17 20.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.506 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 74.7 m-85 -108.1 163.31 13.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -30.75 57.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.786 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -113.36 162.88 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.402 1.064 . . . . 0.0 110.328 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' LEU . 15.8 ttt-85 -77.72 -44.03 29.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.829 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -46.09 -43.85 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.829 HD13 ' OD1' ' A' ' 145' ' ' ASP . 2.6 mp -60.91 -33.57 73.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.8 tp -73.12 -41.03 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.1 mt -67.5 -71.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -39.59 -43.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.223 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 22.6 t60 -52.67 -52.62 55.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.672 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.64 ' HB1' HD23 ' A' ' 159' ' ' LEU . . . -61.03 -30.59 70.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 156' ' ' SER . 22.4 mt-30 -87.96 -5.89 58.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 149' ' ' ARG . 0.2 OUTLIER -107.94 -66.87 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -65.11 -73.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 156' ' ' SER . 8.9 m-70 -77.68 5.84 8.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.688 ' C ' ' O ' ' A' ' 155' ' ' HIS . 6.3 t -8.04 82.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 155' ' ' HIS . . . 134.17 -103.55 0.49 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 157' ' ' GLY . 32.7 m120 -39.45 105.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.64 HD23 ' HB1' ' A' ' 151' ' ' ALA . 1.6 tm? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.45 154.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 141' ' ' PHE . 36.9 m-85 -66.77 86.27 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' ALA . . . -135.44 108.01 7.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ARG . 7.2 t -59.23 111.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.01 1.75 38.39 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.31 -62.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 20.6 p -91.4 -14.41 30.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.405 1.066 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 8.2 m120 85.17 -9.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.621 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.9 OUTLIER -56.97 150.53 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.72 123.24 19.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 66.3 m-85 -110.25 163.06 14.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -76.18 -29.43 57.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.803 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -114.14 162.73 16.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.242 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 147' ' ' LEU . 2.1 ttm105 -78.17 -42.93 30.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.777 ' OD1' HD13 ' A' ' 146' ' ' LEU . 1.6 p-10 -47.24 -42.52 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.803 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.3 mp -62.0 -32.87 73.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 144' ' ' ARG . 11.1 tp -74.81 -41.14 60.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.8 mt -66.24 -70.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 149' ' ' ARG . 0.0 OUTLIER -41.89 -50.36 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 0.0 110.332 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 17.8 t60 -42.83 -45.14 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.878 ' O ' ' N ' ' A' ' 156' ' ' SER . . . -63.39 -57.84 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.485 ' HG3' ' CA ' ' A' ' 157' ' ' GLY . 13.2 mt-30 -62.99 -2.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 151' ' ' ALA . 6.3 tttt -108.13 -63.61 1.3 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 155' ' ' HIS . 0.2 OUTLIER -75.75 -78.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.55 ' N ' HG22 ' A' ' 154' ' ' ILE . 6.6 m-70 -73.24 -79.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 151' ' ' ALA . 12.3 t 169.63 -173.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.499 ' N ' ' OG ' ' A' ' 156' ' ' SER . . . -103.19 -151.33 22.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.412 ' N ' ' ND2' ' A' ' 158' ' ' ASN . 1.5 m120 -114.1 134.25 55.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 159' ' ' LEU . 8.8 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.571 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -136.74 130.66 32.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 144' ' ' ARG . 20.7 m-85 -39.29 89.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -146.42 103.84 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' ASN . 10.8 t -53.09 112.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 108.255 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -73.27 2.61 35.7 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.435 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.3 mp -92.8 -63.53 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 139' ' ' ARG . 21.0 p -90.31 -16.46 29.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.59 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 6.3 m120 88.72 -13.55 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.615 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 0.1 OUTLIER -47.61 149.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -137.82 123.63 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 146' ' ' LEU . 41.8 m-85 -112.16 158.29 19.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.525 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.5 OUTLIER -76.45 -8.96 58.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.94 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -129.43 167.42 17.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.725 HH21 HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -89.86 -29.1 18.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.804 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.2 p-10 -59.65 -43.69 93.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.94 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.7 mp -62.62 -31.66 72.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.373 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 147' ' ' LEU . 2.1 tp -68.68 -37.37 79.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.725 HD11 HH21 ' A' ' 144' ' ' ARG . 3.5 mt -73.08 -73.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 148' ' ' ILE . 0.0 OUTLIER -38.18 -37.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.589 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 29.1 t60 -56.63 -47.12 80.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.547 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -60.69 -37.25 81.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 156' ' ' SER . 29.2 mt-30 -85.99 3.13 43.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -109.12 -71.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -64.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.533 ' O ' ' O ' ' A' ' 156' ' ' SER . 6.0 m-70 -85.04 28.17 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.533 ' O ' ' O ' ' A' ' 155' ' ' HIS . 2.9 p -43.49 175.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.058 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.609 ' C ' HD22 ' A' ' 158' ' ' ASN . . . 103.54 -102.83 2.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.609 HD22 ' C ' ' A' ' 157' ' ' GLY . 0.9 OUTLIER -117.82 -27.82 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.479 ' H ' HD12 ' A' ' 159' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 133' ' ' ALA . . . -136.24 133.16 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -38.8 88.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.581 ' N ' ' O ' ' A' ' 131' ' ' ALA . . . -138.44 121.76 17.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.482 ' SG ' HD12 ' A' ' 136' ' ' LEU . 10.9 t -67.38 115.24 6.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.37 4.91 38.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.482 HD12 ' SG ' ' A' ' 134' ' ' CYS . 1.2 mp -96.25 -61.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 0.797 . . . . 0.0 109.233 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 150' ' ' HIS . 21.5 p -92.4 -16.97 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 108.304 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 137' ' ' CYS . 18.0 m-20 90.53 -18.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.583 ' HB2' ' SG ' ' A' ' 137' ' ' CYS . 1.6 mtm180 -48.07 154.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 133' ' ' ALA . . . -143.08 136.21 28.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' CD2' ' HB3' ' A' ' 146' ' ' LEU . 50.4 m-85 -121.41 165.31 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.81 HG22 ' HG3' ' A' ' 143' ' ' ARG . 0.4 OUTLIER -77.61 -26.16 50.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.884 ' HD3' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -116.04 162.43 17.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.502 ' CZ ' HG12 ' A' ' 148' ' ' ILE . 1.4 tmt_? -79.22 -42.1 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.779 ' OD1' HD13 ' A' ' 146' ' ' LEU . 2.0 p-10 -48.5 -43.83 35.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.884 HD22 ' HD3' ' A' ' 143' ' ' ARG . 2.9 mp -60.62 -33.9 73.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' ARG . 10.4 tp -73.6 -40.02 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 144' ' ' ARG . 6.3 mt -66.21 -72.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -31.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.625 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 30.5 t60 -64.45 -50.14 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.602 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 148' ' ' ILE . . . -62.45 -27.52 69.18 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.516 ' HA ' ' CB ' ' A' ' 156' ' ' SER . 65.5 mt-30 -96.59 3.03 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 156' ' ' SER . 15.5 ttpp -116.97 -73.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 155' ' ' HIS . 0.1 OUTLIER -57.4 -55.79 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.44 ' CG ' HG22 ' A' ' 154' ' ' ILE . 16.1 m-70 -96.37 38.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . 0.535 ' O ' ' O ' ' A' ' 153' ' ' LYS . 0.2 OUTLIER 173.59 -147.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 109.989 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.709 ' O ' HD22 ' A' ' 159' ' ' LEU . . . 107.4 -76.85 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' LEU . 52.9 m-20 -64.83 76.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.709 HD22 ' O ' ' A' ' 157' ' ' GLY . 1.5 mm? . . . . . 0 C--N 1.327 -0.409 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_