data_2ojo_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 2ojo _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' ARG . 66.8 m170 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.27 0.557 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 9' ' ' ILE . 2.5 mp -42.6 -53.69 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 109.949 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -53.51 -29.88 38.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -77.71 -55.41 5.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 0.0 109.969 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -56.53 -45.12 81.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 5' ' ' ILE . 34.7 mt -51.29 -71.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.0 110.073 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 7' ' ' ARG . 5.5 p -47.32 -36.52 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 0.0 109.958 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -58.79 -42.62 89.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.978 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 8' ' ' ALA . 13.9 t -56.39 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.863 . . . . 0.0 109.755 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.14 -50.82 27.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -49.27 -66.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.6 m -53.09 -51.11 62.9 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 110.026 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -45.0 -62.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.92 -22.53 15.25 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.822 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' THR . 2.3 ttp85 -80.0 -50.06 10.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.854 . . . . 0.0 109.029 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -71.02 -32.17 68.87 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.367 -0.833 . . . . 0.0 109.09 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -75.86 -32.79 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.556 -0.715 . . . . 0.0 109.798 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 19.3 m -80.41 -29.58 37.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.368 -0.832 . . . . 0.0 110.138 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.551 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.491 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 6.1 m170 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.421 0.629 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.87 -44.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.398 -0.814 . . . . 0.0 110.63 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -66.06 -38.6 88.74 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 110.739 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.1 ptm180 -85.06 -32.29 22.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.094 -1.004 . . . . 0.0 110.466 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.88 -30.3 40.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.14 -41.02 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.194 -0.942 . . . . 0.0 110.356 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.506 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 10.1 p -67.61 -18.19 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.4 OUTLIER -79.96 -62.34 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.0 110.128 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.6 p -44.57 -45.58 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.284 -0.885 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -61.55 1.72 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 110.222 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.4 tppt? -45.43 -52.56 9.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 0.0 110.17 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -55.34 -60.15 3.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.529 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 55.2 mt -46.38 -44.23 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.014 -1.054 . . . . 0.0 108.576 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.28 -45.52 17.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.357 -0.84 . . . . 0.0 108.858 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -35.37 70.91 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.444 -0.785 . . . . 0.0 108.912 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 19.0 t -65.91 -27.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.508 -0.745 . . . . 0.0 109.752 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -80.05 -32.68 39.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 0.0 110.089 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.489 0.662 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.9 mt -42.91 -64.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.0 110.199 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 10' ' ' VAL . 16.6 m-85 -45.46 -27.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.323 -0.86 . . . . 0.0 110.451 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -78.14 -64.11 1.24 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 110.307 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -42.39 -63.29 0.79 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.307 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.456 HD11 ' O ' ' A' ' 5' ' ' ILE . 1.8 mp -45.27 -75.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.942 . . . . 0.0 110.136 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' PHE . 71.1 t -42.66 -57.1 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 0.0 110.312 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.469 ' O ' ' OG1' ' A' ' 15' ' ' THR . 2.1 m-70 -42.93 -51.57 5.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 110.167 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 ' CG1' ' A' ' 16' ' ' ILE . 12.7 t -55.22 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.993 . . . . 0.0 110.195 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -40.68 -37.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.551 -0.718 . . . . 0.0 110.569 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -80.11 -59.78 2.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.202 -0.936 . . . . 0.0 110.632 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.1 m -60.1 -58.89 6.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 0.0 110.785 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.51 ' CG1' HG11 ' A' ' 12' ' ' VAL . 9.3 mm -44.69 -43.9 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.101 -1.0 . . . . 0.0 109.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 7.1 m-70 -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.152 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.1 ttp180 -80.18 -43.74 21.03 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.205 -0.934 . . . . 0.0 108.73 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.24 70.38 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.552 -0.717 . . . . 0.0 109.111 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 16' ' ' ILE . 19.8 t -66.19 -28.55 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.858 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 29.5 m -80.0 -30.89 39.7 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.166 -0.959 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.005 -1.442 . . . . 0.0 109.618 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.506 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 19.9 m170 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.334 0.588 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' CG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -43.8 -47.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.219 -0.925 . . . . 0.0 110.256 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -60.15 -25.6 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 109.981 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 2.9 mtp-105 -85.59 -51.21 6.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 109.749 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -47.87 -55.53 9.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.583 -0.698 . . . . 0.0 110.322 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.526 HG21 ' CD1' ' A' ' 5' ' ' ILE . 13.5 pt -65.73 -43.93 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 0.0 110.206 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.5 t -62.93 -51.02 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 110.085 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 38.4 m170 -44.1 -47.69 8.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 6.7 t -58.46 -75.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 110.306 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -41.95 -31.24 0.32 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 16.1 ttmt -79.25 -60.86 2.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.473 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.76 -58.78 3.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.236 -0.915 . . . . 0.0 110.891 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.2 mp -45.23 -43.5 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.172 -0.955 . . . . 0.0 108.649 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -72.1 -25.62 61.82 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.686 -0.805 . . . . 0.0 108.984 178.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.64 -44.07 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 109.05 178.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -34.96 67.35 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.518 -0.738 . . . . 0.0 109.19 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 40.3 t -72.06 -30.83 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 0.0 109.938 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' HG21 ' A' ' 21' ' ' THR . 7.1 m -77.03 -22.81 52.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.206 0.527 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 4.7 pt -55.32 -46.53 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 119.277 -0.969 . . . . 0.0 108.663 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 1.6 t80 -49.07 -33.21 11.09 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.752 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -85.29 -54.74 4.41 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 109.943 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -48.59 -41.9 32.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 110.305 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 87.7 mt -72.93 -53.66 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.186 -0.946 . . . . 0.0 110.284 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 t -50.8 -43.94 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.994 -1.066 . . . . 0.0 109.825 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -57.57 -70.9 0.11 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.481 -0.762 . . . . 0.0 110.724 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -40.97 -39.65 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.267 -0.896 . . . . 0.0 110.6 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -74.55 -39.23 62.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.097 -1.002 . . . . 0.0 109.86 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' ARG . 11.2 tppt? -71.81 -51.35 22.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.875 . . . . 0.0 109.889 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -57.41 -60.06 4.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.2 mp -46.16 -44.64 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.131 -0.98 . . . . 0.0 108.473 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.8 t60 -72.09 -24.23 61.46 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.367 -0.833 . . . . 0.0 108.893 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 7.2 ttt180 -79.92 -45.99 17.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 108.783 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.25 74.82 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.407 -0.808 . . . . 0.0 108.86 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 18.2 t -63.97 -27.41 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.6 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -76.11 -44.57 37.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.555 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.2 m170 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.237 0.541 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.482 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 2.9 mt -43.59 -64.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -47.66 -21.14 0.33 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -59.2 2.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.073 . . . . 0.0 110.897 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.535 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -69.86 -28.93 66.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.43 -0.794 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.489 ' O ' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -80.49 -42.73 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.004 -1.06 . . . . 0.0 110.624 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 42.6 t -64.56 -50.93 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.235 -0.915 . . . . 0.0 110.568 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -54.63 42.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.583 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 8.1 p -52.9 -43.65 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.045 -1.034 . . . . 0.0 110.214 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.45 -67.78 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ARG . 14.4 tppt? -45.54 -68.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.618 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.7 m -41.45 -64.56 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.368 -0.832 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -46.26 -45.56 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.134 -0.979 . . . . 0.0 108.414 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -26.44 66.81 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 15' ' ' THR . 11.1 tpt180 -80.51 -43.66 20.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 109.057 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 3.3 tm? -73.96 -32.54 63.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.12 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -74.69 -30.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.512 -0.743 . . . . 0.0 109.822 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -77.04 -25.11 52.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.042 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.481 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.437 0.637 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 9' ' ' ILE . 2.6 mt -43.14 -52.69 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.488 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 58.5 t80 -49.17 -32.85 11.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.432 -0.793 . . . . 0.0 110.355 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' O ' HG13 ' A' ' 10' ' ' VAL . 30.0 mtp180 -85.32 -47.2 10.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.93 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.1 86.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.896 . . . . 0.0 110.488 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt -72.78 -44.53 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.282 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 6' ' ' PHE . 8.4 p -73.36 -11.56 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.134 -0.979 . . . . 0.0 110.107 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -80.24 -59.96 2.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.36 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG11 ' N ' ' A' ' 13' ' ' ALA . 7.2 p -54.34 -43.59 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 0.0 110.47 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' N ' HG11 ' A' ' 12' ' ' VAL . . . -69.42 -69.76 0.32 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.673 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 tppt? -45.08 -53.93 7.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.225 -0.922 . . . . 0.0 110.691 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ARG . 89.3 m -49.55 -70.69 0.08 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.216 -0.928 . . . . 0.0 111.228 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.47 HG23 HG22 ' A' ' 20' ' ' VAL . 46.7 mt -45.63 -52.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.102 -0.999 . . . . 0.0 108.995 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -61.28 -24.32 66.31 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.481 -0.887 . . . . 0.0 108.633 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.62 -47.43 14.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.407 -0.808 . . . . 0.0 109.158 178.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.02 -31.1 65.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.338 -0.851 . . . . 0.0 109.203 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 HG23 ' A' ' 16' ' ' ILE . 25.6 t -72.84 -29.21 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.95 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -79.9 -26.24 40.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.27 -0.894 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.529 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.623 ' CD2' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.411 0.624 . . . . 0.0 110.205 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 2.3 mp -49.03 -53.95 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.387 -0.821 . . . . 0.0 110.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -61.45 -12.34 14.29 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.388 -0.82 . . . . 0.0 110.231 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.623 ' NH1' ' CD2' ' A' ' 4' ' ' HIS . 4.1 mtm180 -85.21 -84.03 0.16 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -0.938 . . . . 0.0 110.662 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -39.99 -30.95 0.1 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.896 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 1.3 mp -80.19 -39.53 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.048 -1.033 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 29.9 t -77.25 -48.43 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 0.0 110.213 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -57.75 -44.77 86.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 8.0 p -61.95 -43.91 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.962 . . . . 0.0 110.392 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' N ' HG11 ' A' ' 12' ' ' VAL . . . -75.24 -62.95 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 0.0 110.526 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -43.4 -62.39 1.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -54.46 -53.52 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.905 . . . . 0.0 110.415 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 1.4 mm -44.46 -63.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -53.44 -23.16 9.23 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.449 -0.901 . . . . 0.0 108.729 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.42 -48.66 12.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.316 -0.865 . . . . 0.0 108.908 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' C ' HD21 ' A' ' 19' ' ' LEU . 8.9 tt -69.85 -33.99 73.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.365 -0.834 . . . . 0.0 108.9 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.68 -31.85 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.476 -0.765 . . . . 0.0 109.598 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -80.05 -28.03 39.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 110.13 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.076 0.465 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.468 ' C ' ' CD1' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -68.57 -32.35 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.1 -1.0 . . . . 0.0 108.86 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.458 ' N ' HG13 ' A' ' 5' ' ' ILE . 40.2 m-85 -72.65 -26.51 61.67 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.002 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -48.22 9.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.0 110.002 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -55.87 -54.1 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.365 -0.834 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' HG11 ' A' ' 12' ' ' VAL . 85.9 mt -57.64 -49.26 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.12 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.38 -43.85 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.9 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -60.72 -67.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.875 . . . . 0.0 110.509 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 6.0 p -43.44 -41.76 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 0.0 110.159 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.12 -62.25 1.67 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.236 -0.915 . . . . 0.0 110.074 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -54.46 -54.9 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.0 110.003 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.0 m -49.57 -63.19 1.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 89.1 mt -46.23 -51.17 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.069 -1.02 . . . . 0.0 108.409 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -61.7 -25.89 67.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.24 -46.36 16.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.356 -0.84 . . . . 0.0 108.99 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.4 -32.86 70.68 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.43 -0.794 . . . . 0.0 108.982 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 16' ' ' ILE . 15.5 t -65.96 -30.54 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.718 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -80.21 -30.73 38.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.382 -0.824 . . . . 0.0 110.014 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.576 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.447 0.641 . . . . 0.0 110.116 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 4' ' ' HIS . 2.6 mp -40.78 -47.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.009 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.8 t80 -64.22 -36.75 85.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 0.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.0 ptm180 -84.86 -21.1 29.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.028 -1.045 . . . . 0.0 110.078 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -80.22 -44.11 20.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 110.012 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CD1' HG23 ' A' ' 10' ' ' VAL . 2.6 pp -76.21 -32.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 9' ' ' ILE . 21.6 t -66.45 -48.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.996 . . . . 0.0 110.082 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.7 m-70 -61.21 -62.01 2.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.184 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 16' ' ' ILE . 3.2 p -42.84 -36.16 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 0.0 110.24 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.528 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . . . -79.56 -46.63 16.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.0 110.377 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -64.15 -39.86 94.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 110.399 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.7 m -66.71 -60.92 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.734 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 13' ' ' ALA . 13.8 pt -48.19 -45.5 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.948 -1.095 . . . . 0.0 108.086 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' N ' HG13 ' A' ' 16' ' ' ILE . 3.1 t60 -58.81 -28.36 65.93 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' THR . 4.3 ttm-85 -80.81 -35.07 33.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.817 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.82 -41.99 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' CG2' ' N ' ' A' ' 21' ' ' THR . 2.4 m -71.76 -42.04 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.355 -0.841 . . . . 0.0 109.075 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 72.5 m -72.64 -21.14 61.14 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.224 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.548 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 7' ' ' ARG . 15.0 m-70 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.307 0.575 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 7.6 pt -46.65 -45.53 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.208 -0.932 . . . . 0.0 109.156 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -56.55 -29.5 62.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.626 -0.671 . . . . 0.0 110.016 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -82.18 -56.9 3.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 0.0 110.052 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -41.72 -44.06 3.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.328 -0.858 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 12' ' ' VAL . 4.7 mt -80.14 -42.86 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.923 . . . . 0.0 110.499 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 6' ' ' PHE . 18.7 t -68.11 -45.68 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.278 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.473 ' O ' ' CB ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -64.02 -53.77 44.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.254 -0.904 . . . . 0.0 110.87 -179.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 7.2 p -50.73 -45.57 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 110.737 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 17' ' ' HIS . . . -74.03 -59.93 2.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.693 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 30.4 ttpt -56.49 -48.26 77.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.181 -0.949 . . . . 0.0 110.685 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ARG . 88.6 m -61.16 -70.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 0.0 110.906 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 89.7 mt -45.01 -52.89 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.0 108.606 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 21' ' ' THR . 20.2 t-80 -62.12 -25.24 67.62 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.983 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' THR . 61.0 ttt-85 -80.37 -46.61 15.76 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.179 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -30.98 63.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.435 -0.79 . . . . 0.0 109.52 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.7 t -78.5 -29.04 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.929 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 16.1 m -80.15 -24.96 40.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.05 -1.417 . . . . 0.0 109.588 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.3 m-70 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.336 0.589 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 4' ' ' HIS . 2.4 mp -43.98 -51.48 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.046 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.528 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.49 -25.98 52.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.515 -0.741 . . . . 0.0 110.239 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -83.33 -65.67 0.98 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.933 . . . . 0.0 110.29 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.5 -49.83 5.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.26 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.96 -50.35 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 23.2 t -54.86 -55.03 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.15 -0.969 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 15' ' ' THR . 32.9 m170 -42.71 -46.41 5.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 16' ' ' ILE . 10.4 t -54.52 -73.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.232 -0.918 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -57.83 -19.59 29.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 14.8 tppt? -80.31 -53.18 6.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 110.436 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -72.39 -59.48 2.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 9.8 mm -46.08 -38.56 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.153 -0.967 . . . . 0.0 108.561 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 48.2 t-80 -74.48 -27.72 60.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.551 ' NH1' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.6 -42.39 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.289 -0.882 . . . . 0.0 108.997 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD13 HG22 ' A' ' 15' ' ' THR . 1.6 mp -72.77 -34.52 67.02 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.219 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 20.2 t -70.18 -30.14 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.859 . . . . 0.0 109.877 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 92.4 m -80.07 -22.34 42.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.048 -1.418 . . . . 0.0 109.581 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 7' ' ' ARG . 4.8 m-70 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.378 0.608 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' HG21 ' A' ' 9' ' ' ILE . 2.7 mp -43.3 -54.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.987 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.517 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 19.4 m-85 -54.15 -24.77 19.19 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.529 -0.732 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 4' ' ' HIS . 13.2 mtp180 -81.99 -59.24 2.64 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.161 -0.962 . . . . 0.0 110.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.6 71.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.276 -0.89 . . . . 0.0 110.48 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -74.71 -42.13 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 0.0 110.245 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 7.4 t -59.18 -43.14 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.1 -1.0 . . . . 0.0 110.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -61.32 -67.4 0.41 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 110.517 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 2.8 p -41.63 -45.85 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.295 -0.878 . . . . 0.0 110.587 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 16' ' ' ILE . . . -76.45 -42.91 42.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 18' ' ' ARG . 15.4 ttmm -59.32 -44.06 92.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 8.7 m -65.83 -65.98 0.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.915 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.534 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 2.4 pp -46.86 -40.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.046 -1.034 . . . . 0.0 108.579 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' HB2' HD11 ' A' ' 16' ' ' ILE . 49.9 t-80 -74.21 -26.02 60.02 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.9 tpt180 -72.82 -61.04 1.95 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -40.24 79.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.726 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 37.4 t -66.68 -31.98 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -80.17 -22.33 42.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.351 -0.843 . . . . 0.0 110.063 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.012 -1.438 . . . . 0.0 109.544 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.251 0.548 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.584 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 7.6 pt -62.25 -45.2 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 0.0 109.187 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.584 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.03 -20.93 65.03 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.864 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.33 -72.96 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.0 110.231 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -41.88 -62.94 0.81 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -45.25 -44.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.153 -0.967 . . . . 0.0 110.071 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 24.8 t -68.29 -48.3 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 109.88 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 15' ' ' THR . 1.1 m-70 -56.57 -16.61 6.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 8' ' ' ALA . 11.8 t -79.08 -72.79 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -56.83 -56.48 20.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.452 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -45.7 -66.39 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 110.51 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -57.53 -60.9 2.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.23 -0.918 . . . . 0.0 110.477 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.497 ' CD1' HG13 ' A' ' 12' ' ' VAL . 69.9 mt -45.7 -44.64 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.136 -0.978 . . . . 0.0 108.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 37.8 t60 -70.82 -25.87 63.05 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.95 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.6 ttt180 -80.41 -40.35 26.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.375 -0.828 . . . . 0.0 109.19 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.4 -35.2 58.71 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.473 -0.767 . . . . 0.0 108.976 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 11.8 t -69.54 -31.18 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.87 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 22' ' ' GLY . 14.8 t -80.11 -24.02 40.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.139 -0.976 . . . . 0.0 110.231 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.567 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.355 0.598 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -43.33 -44.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.508 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -61.3 -29.61 69.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.388 -0.82 . . . . 0.0 110.547 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' HIS . 18.7 mtp180 -81.58 -53.95 5.83 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.153 -0.967 . . . . 0.0 110.201 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -49.86 -37.18 29.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.541 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 5' ' ' ILE . 58.6 mt -79.73 -54.56 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.272 -0.893 . . . . 0.0 110.586 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 6' ' ' PHE . 23.6 t -47.45 -46.75 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.974 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.9 m-70 -59.2 -70.09 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.605 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -42.94 -36.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.152 -0.968 . . . . 0.0 110.162 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 110.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.6 ttpt -50.11 -44.44 52.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.219 -0.926 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -60.08 -63.18 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.29 -0.881 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 35.8 mt -46.64 -42.98 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.045 -1.035 . . . . 0.0 108.322 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -68.81 -27.41 65.84 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.81 -43.92 19.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 108.879 178.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.06 -31.72 66.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.534 -0.729 . . . . 0.0 109.115 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 13.8 t -71.81 -35.64 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.788 . . . . 0.0 109.972 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.513 HG21 ' N ' ' A' ' 22' ' ' GLY . 6.5 t -80.35 -18.67 48.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.186 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.513 ' N ' HG21 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.377 0.608 . . . . 0.0 110.56 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 6.1 pt -59.49 -44.77 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.029 -1.044 . . . . 0.0 108.945 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.572 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.93 -25.77 64.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.756 -0.59 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 2.4 ptm85 -85.52 -43.29 13.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 110.325 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.61 -43.18 89.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 0.0 110.578 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.466 ' HA ' HG11 ' A' ' 12' ' ' VAL . 13.7 pt -78.58 -35.32 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.124 -0.985 . . . . 0.0 110.418 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 18.9 t -72.42 -46.16 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.973 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.5 m-70 -67.71 -52.57 36.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.528 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 7.7 p -44.06 -45.68 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.083 -1.01 . . . . 0.0 110.276 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -80.16 -57.06 3.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.146 -0.971 . . . . 0.0 110.155 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -54.44 -52.64 61.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.332 -0.855 . . . . 0.0 110.674 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.2 m -52.37 -66.01 0.46 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 110.869 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 7.2 mt -45.43 -49.7 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.129 -0.982 . . . . 0.0 108.655 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -24.53 67.09 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.984 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' THR . 36.5 ttt180 -80.3 -47.87 13.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 108.89 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.58 -33.6 71.26 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.27 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 16' ' ' ILE . 14.4 t -70.84 -27.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.3 -0.875 . . . . 0.0 109.749 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -79.76 -28.35 40.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 110.201 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.3 m-70 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.393 0.616 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 8.3 pt -44.82 -45.23 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.824 . . . . 0.0 109.501 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -52.59 -33.81 47.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.568 -0.708 . . . . 0.0 110.272 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.506 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.08 -63.77 1.28 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.73 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -43.08 -57.24 2.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.537 -0.727 . . . . 0.0 109.978 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.531 HD13 HG23 ' A' ' 9' ' ' ILE . 21.3 mt -50.5 -68.33 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -47.38 -51.01 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 15' ' ' THR . 6.1 m-70 -49.36 -31.55 9.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 110.45 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 8' ' ' ALA . 10.3 t -73.08 -73.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.175 -0.953 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -53.15 -22.12 5.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -0.761 . . . . 0.0 110.461 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 2.0 tppt? -80.29 -63.04 1.5 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.532 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.2 m -60.65 -57.57 12.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 110.636 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.516 ' CD1' HG13 ' A' ' 12' ' ' VAL . 75.2 mt -44.9 -48.58 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.049 -1.032 . . . . 0.0 108.942 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 17.9 t60 -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.909 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 5.1 ttp180 -80.25 -45.54 17.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.34 -0.85 . . . . 0.0 108.959 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.41 -36.68 66.02 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.418 -0.801 . . . . 0.0 108.963 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 39.4 t -70.54 -30.57 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.761 . . . . 0.0 109.79 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 15.9 m -79.6 -25.09 41.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.858 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.28 0.562 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -65.6 -30.96 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.206 -0.934 . . . . 0.0 108.645 179.618 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -68.99 -30.6 69.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.996 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' ALA . 13.5 mtm105 -85.42 -63.94 1.24 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -41.35 -40.85 1.81 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.383 -0.823 . . . . 0.0 110.587 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 47.4 mt -79.95 -43.44 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.415 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.2 t -68.56 -47.28 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.155 -0.966 . . . . 0.0 110.243 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -58.29 -54.01 51.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.243 -0.911 . . . . 0.0 110.667 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 13' ' ' ALA . 7.5 p -54.44 -42.73 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 0.0 110.603 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.475 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -80.27 -44.57 19.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.122 -0.986 . . . . 0.0 110.644 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 tppt? -70.81 -49.85 41.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.663 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.7 m -57.05 -67.21 0.34 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.211 -0.931 . . . . 0.0 110.587 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.529 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 94.9 mt -46.92 -48.08 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.153 -0.967 . . . . 0.0 108.675 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 47.2 t-80 -65.59 -22.9 66.72 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.544 -0.862 . . . . 0.0 108.811 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.47 -49.26 11.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.082 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.529 ' CD2' ' HA ' ' A' ' 16' ' ' ILE . 2.5 pp -71.66 -31.28 66.65 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.261 -0.899 . . . . 0.0 109.028 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.2 t -72.99 -31.94 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.696 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -72.5 -29.03 63.26 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.317 -0.864 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.531 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.277 0.56 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -63.89 -33.19 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.273 -0.892 . . . . 0.0 108.981 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -71.85 -21.6 61.65 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.385 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' O ' HG11 ' A' ' 10' ' ' VAL . 23.6 mtp180 -85.55 -68.76 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.181 -0.949 . . . . 0.0 110.498 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -50.85 -38.18 47.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.258 -0.901 . . . . 0.0 110.689 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' CD1' HD13 ' A' ' 5' ' ' ILE . 27.9 mt -70.0 -72.77 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -0.945 . . . . 0.0 110.664 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 11' ' ' HIS . 8.2 p -41.94 -43.35 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 110.41 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.531 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 2.0 m-70 -53.38 -44.52 68.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.139 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 8' ' ' ALA . 11.4 t -61.75 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.11 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -49.4 -25.16 2.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.418 -0.801 . . . . 0.0 110.294 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -80.12 -56.64 4.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.73 -56.39 6.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.9 . . . . 0.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 1.7 mp -46.32 -44.0 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 0.0 108.477 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 6.8 t60 -70.19 -25.18 63.31 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.29 -44.53 19.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.374 -0.829 . . . . 0.0 108.926 178.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -34.46 66.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.478 -0.764 . . . . 0.0 109.125 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 24.2 t -70.17 -29.14 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.799 . . . . 0.0 109.834 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -77.6 -28.16 51.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.538 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.3 m170 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.031 0.444 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.52 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -67.66 -32.01 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 108.665 179.599 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -69.47 -27.02 64.87 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.14 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 13.2 mtp180 -85.31 -49.78 7.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.48 84.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -79.71 -33.14 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.047 -1.033 . . . . 0.0 110.805 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.3 t -76.24 -55.08 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.449 ' O ' ' OG1' ' A' ' 15' ' ' THR . 1.1 m-70 -48.24 -48.88 34.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 7.7 p -58.75 -43.12 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.147 -0.971 . . . . 0.0 110.336 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' N ' HG11 ' A' ' 12' ' ' VAL . . . -79.88 -25.48 40.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.74 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.15 -42.98 22.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.077 -1.015 . . . . 0.0 110.192 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -71.76 -56.65 5.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 110.424 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -45.72 -44.43 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 108.38 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -70.03 -26.28 63.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.762 -0.775 . . . . 0.0 108.972 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.38 -41.05 25.37 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.27 -0.894 . . . . 0.0 108.86 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 tm? -74.59 -36.55 63.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.473 -0.767 . . . . 0.0 109.008 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 16' ' ' ILE . 10.9 t -68.74 -28.37 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.654 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -79.9 -25.07 40.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.585 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.203 0.525 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.525 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -46.03 -26.17 0.68 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.291 -0.881 . . . . 0.0 110.125 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -69.92 -49.8 48.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.297 -0.877 . . . . 0.0 110.162 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' ARG . 66.8 m170 -49.26 -60.23 3.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.369 -0.832 . . . . 0.0 110.224 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.525 ' CD1' ' HA ' ' A' ' 2' ' ' PHE . 2.5 mp -42.6 -53.69 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 109.949 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -53.51 -29.88 38.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -77.71 -55.41 5.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 0.0 109.969 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -56.53 -45.12 81.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 5' ' ' ILE . 34.7 mt -51.29 -71.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.0 110.073 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 7' ' ' ARG . 5.5 p -47.32 -36.52 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 0.0 109.958 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -58.79 -42.62 89.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.978 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 8' ' ' ALA . 13.9 t -56.39 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.863 . . . . 0.0 109.755 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.14 -50.82 27.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -49.27 -66.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.536 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.6 m -53.09 -51.11 62.9 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 110.026 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -45.0 -62.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.92 -22.53 15.25 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.822 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' THR . 2.3 ttp85 -80.0 -50.06 10.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.854 . . . . 0.0 109.029 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -71.02 -32.17 68.87 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.367 -0.833 . . . . 0.0 109.09 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -75.86 -32.79 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.556 -0.715 . . . . 0.0 109.798 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 19.3 m -80.41 -29.58 37.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.368 -0.832 . . . . 0.0 110.138 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.551 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.251 0.548 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.449 ' O ' HG21 ' A' ' 5' ' ' ILE . 9.4 m-85 -64.37 -18.39 64.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.89 -43.51 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.491 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 6.1 m170 -75.18 -56.62 4.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.371 -0.831 . . . . 0.0 110.068 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.542 ' CG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -39.87 -44.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.398 -0.814 . . . . 0.0 110.63 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -66.06 -38.6 88.74 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 110.739 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.1 ptm180 -85.06 -32.29 22.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.094 -1.004 . . . . 0.0 110.466 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.88 -30.3 40.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.14 -41.02 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.194 -0.942 . . . . 0.0 110.356 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 10.1 p -67.61 -18.19 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.4 OUTLIER -79.96 -62.34 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.0 110.128 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.6 p -44.57 -45.58 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.284 -0.885 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.97 -61.55 1.72 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 110.222 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.4 tppt? -45.43 -52.56 9.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 0.0 110.17 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -55.34 -60.15 3.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.529 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 55.2 mt -46.38 -44.23 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.014 -1.054 . . . . 0.0 108.576 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.28 -45.52 17.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.357 -0.84 . . . . 0.0 108.858 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -35.37 70.91 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.444 -0.785 . . . . 0.0 108.912 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 19.0 t -65.91 -27.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.508 -0.745 . . . . 0.0 109.752 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -80.05 -32.68 39.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 0.0 110.089 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.446 ' O ' HD11 ' A' ' 5' ' ' ILE . 62.9 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.452 ' HA ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -49.98 -38.48 37.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.7 m-70 -62.39 -48.7 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.31 -62.9 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.379 -0.826 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' HD11 ' A' ' 9' ' ' ILE . 2.9 mt -42.91 -64.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.0 110.199 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 10' ' ' VAL . 16.6 m-85 -45.46 -27.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.323 -0.86 . . . . 0.0 110.451 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -78.14 -64.11 1.24 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 110.307 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -42.39 -63.29 0.79 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.307 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.456 HD11 ' O ' ' A' ' 5' ' ' ILE . 1.8 mp -45.27 -75.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.942 . . . . 0.0 110.136 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' PHE . 71.1 t -42.66 -57.1 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 0.0 110.312 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.469 ' O ' ' OG1' ' A' ' 15' ' ' THR . 2.1 m-70 -42.93 -51.57 5.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 110.167 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 ' CG1' ' A' ' 16' ' ' ILE . 12.7 t -55.22 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.993 . . . . 0.0 110.195 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -40.68 -37.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.551 -0.718 . . . . 0.0 110.569 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -80.11 -59.78 2.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.202 -0.936 . . . . 0.0 110.632 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.1 m -60.1 -58.89 6.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 0.0 110.785 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' CG1' HG11 ' A' ' 12' ' ' VAL . 9.3 mm -44.69 -43.9 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.101 -1.0 . . . . 0.0 109.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 7.1 m-70 -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.152 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.1 ttp180 -80.18 -43.74 21.03 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.205 -0.934 . . . . 0.0 108.73 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.24 70.38 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.552 -0.717 . . . . 0.0 109.111 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 16' ' ' ILE . 19.8 t -66.19 -28.55 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.858 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 29.5 m -80.0 -30.89 39.7 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.166 -0.959 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.005 -1.442 . . . . 0.0 109.618 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.156 0.503 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.479 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -83.2 -17.63 42.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.466 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -74.84 -61.54 1.85 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 110.194 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.506 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 19.9 m170 -61.86 -49.83 74.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.546 -0.721 . . . . 0.0 110.498 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' CG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -43.8 -47.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.219 -0.925 . . . . 0.0 110.256 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -60.15 -25.6 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 109.981 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 2.9 mtp-105 -85.59 -51.21 6.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 109.749 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -47.87 -55.53 9.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.583 -0.698 . . . . 0.0 110.322 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.526 HG21 ' CD1' ' A' ' 5' ' ' ILE . 13.5 pt -65.73 -43.93 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 0.0 110.206 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.5 t -62.93 -51.02 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 110.085 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 38.4 m170 -44.1 -47.69 8.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 6.7 t -58.46 -75.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 110.306 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -41.95 -31.24 0.32 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 16.1 ttmt -79.25 -60.86 2.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.473 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.76 -58.78 3.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.236 -0.915 . . . . 0.0 110.891 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.2 mp -45.23 -43.5 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.172 -0.955 . . . . 0.0 108.649 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -72.1 -25.62 61.82 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.686 -0.805 . . . . 0.0 108.984 178.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.64 -44.07 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 109.05 178.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -34.96 67.35 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.518 -0.738 . . . . 0.0 109.19 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 40.3 t -72.06 -30.83 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 0.0 109.938 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.47 ' O ' HG21 ' A' ' 21' ' ' THR . 7.1 m -77.03 -22.81 52.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.293 0.568 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' O ' HG12 ' A' ' 5' ' ' ILE . 50.3 m-85 -62.76 -74.67 0.09 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.529 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 9.3 p-80 -40.24 -28.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.417 -0.802 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -63.0 -45.43 92.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.315 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 4.7 pt -55.32 -46.53 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 119.277 -0.969 . . . . 0.0 108.663 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 1.6 t80 -49.07 -33.21 11.09 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.752 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 38.2 mtp180 -85.29 -54.74 4.41 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 109.943 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -48.59 -41.9 32.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 110.305 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 87.7 mt -72.93 -53.66 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.186 -0.946 . . . . 0.0 110.284 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 t -50.8 -43.94 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.994 -1.066 . . . . 0.0 109.825 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -57.57 -70.9 0.11 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.481 -0.762 . . . . 0.0 110.724 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -40.97 -39.65 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.267 -0.896 . . . . 0.0 110.6 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -74.55 -39.23 62.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.097 -1.002 . . . . 0.0 109.86 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' ARG . 11.2 tppt? -71.81 -51.35 22.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.875 . . . . 0.0 109.889 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -57.41 -60.06 4.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.2 mp -46.16 -44.64 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.131 -0.98 . . . . 0.0 108.473 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.8 t60 -72.09 -24.23 61.46 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.367 -0.833 . . . . 0.0 108.893 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 7.2 ttt180 -79.92 -45.99 17.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 108.783 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.25 74.82 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.407 -0.808 . . . . 0.0 108.86 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 18.2 t -63.97 -27.41 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.6 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -76.11 -44.57 37.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.555 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.47 ' O ' HD11 ' A' ' 5' ' ' ILE . 85.8 m-85 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.318 0.58 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.458 ' HA ' HD11 ' A' ' 5' ' ' ILE . 2.8 m-30 -46.62 -33.04 3.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.915 . . . . 0.0 110.193 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -52.56 -72.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' HIS . 12.2 m170 -40.68 -63.86 0.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.482 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 2.9 mt -43.59 -64.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -47.66 -21.14 0.33 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -85.12 -59.2 2.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.073 . . . . 0.0 110.897 -179.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.535 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -69.86 -28.93 66.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.43 -0.794 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' O ' HG11 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -80.49 -42.73 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.004 -1.06 . . . . 0.0 110.624 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 42.6 t -64.56 -50.93 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.235 -0.915 . . . . 0.0 110.568 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -54.63 42.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.583 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 8.1 p -52.9 -43.65 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.045 -1.034 . . . . 0.0 110.214 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.45 -67.78 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ARG . 14.4 tppt? -45.54 -68.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.618 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.7 m -41.45 -64.56 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.368 -0.832 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -46.26 -45.56 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.134 -0.979 . . . . 0.0 108.414 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -26.44 66.81 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 15' ' ' THR . 11.1 tpt180 -80.51 -43.66 20.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 109.057 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 3.3 tm? -73.96 -32.54 63.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.12 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -74.69 -30.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.512 -0.743 . . . . 0.0 109.822 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -77.04 -25.11 52.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.042 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.481 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.238 0.542 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.517 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -49.53 -39.51 34.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 110.073 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.471 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 17.9 p80 -62.31 -46.51 88.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.325 -0.86 . . . . 0.0 110.045 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.8 OUTLIER -44.23 -61.89 1.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' CD1' ' HA ' ' A' ' 2' ' ' PHE . 2.6 mt -43.14 -52.69 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.488 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 58.5 t80 -49.17 -32.85 11.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.432 -0.793 . . . . 0.0 110.355 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 30.0 mtp180 -85.32 -47.2 10.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.93 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.1 86.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.896 . . . . 0.0 110.488 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 4.9 tt -72.78 -44.53 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.282 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 6' ' ' PHE . 8.4 p -73.36 -11.56 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.134 -0.979 . . . . 0.0 110.107 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -80.24 -59.96 2.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.36 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG11 ' N ' ' A' ' 13' ' ' ALA . 7.2 p -54.34 -43.59 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 0.0 110.47 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' N ' HG11 ' A' ' 12' ' ' VAL . . . -69.42 -69.76 0.32 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.673 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 tppt? -45.08 -53.93 7.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.225 -0.922 . . . . 0.0 110.691 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ARG . 89.3 m -49.55 -70.69 0.08 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.216 -0.928 . . . . 0.0 111.228 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.47 HG23 HG22 ' A' ' 20' ' ' VAL . 46.7 mt -45.63 -52.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.102 -0.999 . . . . 0.0 108.995 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -61.28 -24.32 66.31 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.481 -0.887 . . . . 0.0 108.633 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.62 -47.43 14.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.407 -0.808 . . . . 0.0 109.158 178.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.02 -31.1 65.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.338 -0.851 . . . . 0.0 109.203 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 HG23 ' A' ' 16' ' ' ILE . 25.6 t -72.84 -29.21 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.95 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -79.9 -26.24 40.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.27 -0.894 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.529 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.321 0.581 . . . . 0.0 110.187 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 6' ' ' PHE . 15.3 t80 -46.23 -47.47 17.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.297 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 60.6 t60 -54.71 -46.47 74.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.172 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.623 ' CD2' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -49.61 -67.8 0.23 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 0.0 110.205 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 2.3 mp -49.03 -53.95 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.387 -0.821 . . . . 0.0 110.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -61.45 -12.34 14.29 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.388 -0.82 . . . . 0.0 110.231 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.623 ' NH1' ' CD2' ' A' ' 4' ' ' HIS . 4.1 mtm180 -85.21 -84.03 0.16 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -0.938 . . . . 0.0 110.662 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -39.99 -30.95 0.1 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.896 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 1.3 mp -80.19 -39.53 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.048 -1.033 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 29.9 t -77.25 -48.43 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 0.0 110.213 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -57.75 -44.77 86.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 8.0 p -61.95 -43.91 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.962 . . . . 0.0 110.392 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' N ' HG11 ' A' ' 12' ' ' VAL . . . -75.24 -62.95 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 0.0 110.526 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -43.4 -62.39 1.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -54.46 -53.52 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.905 . . . . 0.0 110.415 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 1.4 mm -44.46 -63.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -53.44 -23.16 9.23 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.449 -0.901 . . . . 0.0 108.729 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.42 -48.66 12.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.316 -0.865 . . . . 0.0 108.908 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' C ' HD21 ' A' ' 19' ' ' LEU . 8.9 tt -69.85 -33.99 73.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.365 -0.834 . . . . 0.0 108.9 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.68 -31.85 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.476 -0.765 . . . . 0.0 109.598 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -80.05 -28.03 39.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 110.13 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' HB2' ' CE1' ' A' ' 3' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.216 0.531 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -51.94 -63.52 1.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 110.358 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 1' ' ' PHE . 7.3 p80 -45.52 -27.39 0.73 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.326 -0.859 . . . . 0.0 110.395 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.5 OUTLIER -76.35 -27.4 56.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.216 -0.927 . . . . 0.0 110.6 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -68.57 -32.35 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.1 -1.0 . . . . 0.0 108.86 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' N ' HG13 ' A' ' 5' ' ' ILE . 40.2 m-85 -72.65 -26.51 61.67 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.002 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -84.56 -48.22 9.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.0 110.002 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -55.87 -54.1 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.365 -0.834 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' HG11 ' A' ' 12' ' ' VAL . 85.9 mt -57.64 -49.26 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.12 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.38 -43.85 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.9 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -60.72 -67.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.875 . . . . 0.0 110.509 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 6.0 p -43.44 -41.76 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 0.0 110.159 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.12 -62.25 1.67 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.236 -0.915 . . . . 0.0 110.074 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -54.46 -54.9 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.0 110.003 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.0 m -49.57 -63.19 1.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.531 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 89.1 mt -46.23 -51.17 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.069 -1.02 . . . . 0.0 108.409 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -61.7 -25.89 67.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.24 -46.36 16.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.356 -0.84 . . . . 0.0 108.99 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.4 -32.86 70.68 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.43 -0.794 . . . . 0.0 108.982 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 16' ' ' ILE . 15.5 t -65.96 -30.54 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.718 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -80.21 -30.73 38.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.382 -0.824 . . . . 0.0 110.014 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.576 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 21.7 p90 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.206 0.527 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -62.74 -29.37 70.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.265 -0.897 . . . . 0.0 110.008 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.466 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 49.6 m-70 -63.58 -31.77 73.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 0.0 109.961 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -71.63 -69.94 0.35 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 110.116 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 4' ' ' HIS . 2.6 mp -40.78 -47.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.009 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.8 t80 -64.22 -36.75 85.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 0.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.0 ptm180 -84.86 -21.1 29.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.028 -1.045 . . . . 0.0 110.078 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -80.22 -44.11 20.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 110.012 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' CD1' HG23 ' A' ' 10' ' ' VAL . 2.6 pp -76.21 -32.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 9' ' ' ILE . 21.6 t -66.45 -48.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.996 . . . . 0.0 110.082 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.7 m-70 -61.21 -62.01 2.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.184 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 16' ' ' ILE . 3.2 p -42.84 -36.16 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 0.0 110.24 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . . . -79.56 -46.63 16.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.0 110.377 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -64.15 -39.86 94.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 110.399 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.7 m -66.71 -60.92 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.734 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' CD1' ' HA ' ' A' ' 13' ' ' ALA . 13.8 pt -48.19 -45.5 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.948 -1.095 . . . . 0.0 108.086 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' N ' HG13 ' A' ' 16' ' ' ILE . 3.1 t60 -58.81 -28.36 65.93 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' THR . 4.3 ttm-85 -80.81 -35.07 33.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.817 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.82 -41.99 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' CG2' ' N ' ' A' ' 21' ' ' THR . 2.4 m -71.76 -42.04 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.355 -0.841 . . . . 0.0 109.075 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 72.5 m -72.64 -21.14 61.14 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.224 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.548 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.285 0.564 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' O ' HG12 ' A' ' 5' ' ' ILE . 89.8 m-85 -57.2 -21.55 34.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.259 -0.9 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 86.0 m-70 -74.73 -29.46 61.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 7' ' ' ARG . 15.0 m-70 -73.99 -55.56 5.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.89 . . . . 0.0 110.492 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 7.6 pt -46.65 -45.53 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.208 -0.932 . . . . 0.0 109.156 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -56.55 -29.5 62.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.626 -0.671 . . . . 0.0 110.016 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -82.18 -56.9 3.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 0.0 110.052 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -41.72 -44.06 3.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.328 -0.858 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 12' ' ' VAL . 4.7 mt -80.14 -42.86 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.923 . . . . 0.0 110.499 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 6' ' ' PHE . 18.7 t -68.11 -45.68 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.278 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.473 ' O ' ' CB ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -64.02 -53.77 44.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.254 -0.904 . . . . 0.0 110.87 -179.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 7.2 p -50.73 -45.57 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 110.737 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 17' ' ' HIS . . . -74.03 -59.93 2.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.693 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 30.4 ttpt -56.49 -48.26 77.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.181 -0.949 . . . . 0.0 110.685 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ARG . 88.6 m -61.16 -70.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 0.0 110.906 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 89.7 mt -45.01 -52.89 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.0 108.606 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 21' ' ' THR . 20.2 t-80 -62.12 -25.24 67.62 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.983 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' THR . 61.0 ttt-85 -80.37 -46.61 15.76 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.179 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -30.98 63.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.435 -0.79 . . . . 0.0 109.52 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.7 t -78.5 -29.04 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.929 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 16.1 m -80.15 -24.96 40.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.05 -1.417 . . . . 0.0 109.588 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' HIS . 2.2 t80 -45.63 -60.79 2.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.233 -0.917 . . . . 0.0 110.168 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -44.12 -55.25 4.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 110.09 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 1.3 m-70 -41.58 -68.26 0.2 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.498 -0.751 . . . . 0.0 110.201 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 2.4 mp -43.98 -51.48 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.046 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.49 -25.98 52.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.515 -0.741 . . . . 0.0 110.239 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -83.33 -65.67 0.98 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.933 . . . . 0.0 110.29 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.5 -49.83 5.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.26 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.96 -50.35 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 23.2 t -54.86 -55.03 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.15 -0.969 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 15' ' ' THR . 32.9 m170 -42.71 -46.41 5.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 16' ' ' ILE . 10.4 t -54.52 -73.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.232 -0.918 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -57.83 -19.59 29.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 14.8 tppt? -80.31 -53.18 6.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 110.436 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -72.39 -59.48 2.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 9.8 mm -46.08 -38.56 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.153 -0.967 . . . . 0.0 108.561 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 48.2 t-80 -74.48 -27.72 60.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' NH1' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.6 -42.39 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.289 -0.882 . . . . 0.0 108.997 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD13 HG22 ' A' ' 15' ' ' THR . 1.6 mp -72.77 -34.52 67.02 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.219 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 20.2 t -70.18 -30.14 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.859 . . . . 0.0 109.877 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 92.4 m -80.07 -22.34 42.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.048 -1.418 . . . . 0.0 109.581 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.507 ' O ' ' CD1' ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.272 0.558 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 1.1 m-30 -43.62 -46.51 7.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 110.356 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -60.26 -53.57 56.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.234 -0.916 . . . . 0.0 110.101 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 7' ' ' ARG . 4.8 m-70 -41.2 -59.3 1.55 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.477 -0.764 . . . . 0.0 110.342 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 2' ' ' PHE . 2.7 mp -43.3 -54.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.987 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.517 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 19.4 m-85 -54.15 -24.77 19.19 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.529 -0.732 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.2 mtp180 -81.99 -59.24 2.64 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.161 -0.962 . . . . 0.0 110.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.69 -30.6 71.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.276 -0.89 . . . . 0.0 110.48 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -74.71 -42.13 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 0.0 110.245 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 7.4 t -59.18 -43.14 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.1 -1.0 . . . . 0.0 110.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -61.32 -67.4 0.41 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 110.517 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 2.8 p -41.63 -45.85 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.295 -0.878 . . . . 0.0 110.587 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 16' ' ' ILE . . . -76.45 -42.91 42.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 18' ' ' ARG . 15.4 ttmm -59.32 -44.06 92.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 8.7 m -65.83 -65.98 0.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.915 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.534 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 2.4 pp -46.86 -40.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.046 -1.034 . . . . 0.0 108.579 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' HB2' HD11 ' A' ' 16' ' ' ILE . 49.9 t-80 -74.21 -26.02 60.02 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.9 tpt180 -72.82 -61.04 1.95 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -40.24 79.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.726 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 37.4 t -66.68 -31.98 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -80.17 -22.33 42.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.351 -0.843 . . . . 0.0 110.063 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.012 -1.438 . . . . 0.0 109.544 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.232 0.539 . . . . 0.0 110.17 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.463 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -43.16 -35.44 1.37 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 110.232 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-80 -80.31 -24.8 39.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' PHE . 27.3 m170 -80.14 -40.98 26.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.301 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.584 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 7.6 pt -62.25 -45.2 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 0.0 109.187 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.03 -20.93 65.03 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.864 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.33 -72.96 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.0 110.231 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -41.88 -62.94 0.81 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -45.25 -44.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.153 -0.967 . . . . 0.0 110.071 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 24.8 t -68.29 -48.3 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 109.88 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' OG1' ' A' ' 15' ' ' THR . 1.1 m-70 -56.57 -16.61 6.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 8' ' ' ALA . 11.8 t -79.08 -72.79 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -56.83 -56.48 20.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.452 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -45.7 -66.39 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 110.51 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -57.53 -60.9 2.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.23 -0.918 . . . . 0.0 110.477 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.497 ' CD1' HG13 ' A' ' 12' ' ' VAL . 69.9 mt -45.7 -44.64 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.136 -0.978 . . . . 0.0 108.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 37.8 t60 -70.82 -25.87 63.05 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.95 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 3.6 ttt180 -80.41 -40.35 26.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.375 -0.828 . . . . 0.0 109.19 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.4 -35.2 58.71 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.473 -0.767 . . . . 0.0 108.976 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 11.8 t -69.54 -31.18 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.87 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 22' ' ' GLY . 14.8 t -80.11 -24.02 40.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.139 -0.976 . . . . 0.0 110.231 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.567 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 20.3 p90 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.22 0.533 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -59.52 -14.16 11.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.32 -0.862 . . . . 0.0 110.215 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 19.4 m-70 -76.6 -57.57 3.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.227 -0.921 . . . . 0.0 110.006 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -52.62 -57.58 9.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.76 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -43.33 -44.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.508 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -61.3 -29.61 69.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.388 -0.82 . . . . 0.0 110.547 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 18.7 mtp180 -81.58 -53.95 5.83 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.153 -0.967 . . . . 0.0 110.201 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -49.86 -37.18 29.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.541 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 5' ' ' ILE . 58.6 mt -79.73 -54.56 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.272 -0.893 . . . . 0.0 110.586 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 6' ' ' PHE . 23.6 t -47.45 -46.75 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.974 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.9 m-70 -59.2 -70.09 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.605 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 3.0 p -42.94 -36.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.152 -0.968 . . . . 0.0 110.162 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 110.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.6 ttpt -50.11 -44.44 52.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.219 -0.926 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -60.08 -63.18 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.29 -0.881 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 35.8 mt -46.64 -42.98 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.045 -1.035 . . . . 0.0 108.322 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -68.81 -27.41 65.84 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.81 -43.92 19.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 108.879 178.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.06 -31.72 66.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.534 -0.729 . . . . 0.0 109.115 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 13.8 t -71.81 -35.64 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.788 . . . . 0.0 109.972 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.513 HG21 ' N ' ' A' ' 22' ' ' GLY . 6.5 t -80.35 -18.67 48.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.186 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' N ' HG21 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.262 0.553 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.491 ' O ' HG12 ' A' ' 5' ' ' ILE . 24.1 m-85 -68.54 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 0.0 110.39 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 9.9 p80 -40.86 -27.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 110.492 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.498 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -58.67 -50.46 73.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.201 -0.937 . . . . 0.0 110.56 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 6.1 pt -59.49 -44.77 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.029 -1.044 . . . . 0.0 108.945 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.572 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.93 -25.77 64.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.756 -0.59 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 2.4 ptm85 -85.52 -43.29 13.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 110.325 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 7' ' ' ARG . . . -58.61 -43.18 89.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 0.0 110.578 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.466 ' HA ' HG11 ' A' ' 12' ' ' VAL . 13.7 pt -78.58 -35.32 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.124 -0.985 . . . . 0.0 110.418 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 18.9 t -72.42 -46.16 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.973 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.5 m-70 -67.71 -52.57 36.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.528 ' O ' ' CD1' ' A' ' 16' ' ' ILE . 7.7 p -44.06 -45.68 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.083 -1.01 . . . . 0.0 110.276 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -80.16 -57.06 3.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.146 -0.971 . . . . 0.0 110.155 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -54.44 -52.64 61.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.332 -0.855 . . . . 0.0 110.674 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.2 m -52.37 -66.01 0.46 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 110.869 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' VAL . 7.2 mt -45.43 -49.7 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.129 -0.982 . . . . 0.0 108.655 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -24.53 67.09 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.984 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' THR . 36.5 ttt180 -80.3 -47.87 13.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 108.89 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.58 -33.6 71.26 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.27 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 16' ' ' ILE . 14.4 t -70.84 -27.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.3 -0.875 . . . . 0.0 109.749 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -79.76 -28.35 40.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 110.201 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.466 ' O ' HG12 ' A' ' 5' ' ' ILE . 56.3 m-85 -66.52 -24.07 66.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 11.7 m-70 -74.29 -32.06 62.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.955 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.3 m-70 -68.87 -60.19 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 0.0 110.438 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.575 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 8.3 pt -44.82 -45.23 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.824 . . . . 0.0 109.501 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -52.59 -33.81 47.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.568 -0.708 . . . . 0.0 110.272 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.506 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.08 -63.77 1.28 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.73 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -43.08 -57.24 2.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.537 -0.727 . . . . 0.0 109.978 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.531 HD13 HG23 ' A' ' 9' ' ' ILE . 21.3 mt -50.5 -68.33 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -47.38 -51.01 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' OG1' ' A' ' 15' ' ' THR . 6.1 m-70 -49.36 -31.55 9.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 110.45 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 8' ' ' ALA . 10.3 t -73.08 -73.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.175 -0.953 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -53.15 -22.12 5.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -0.761 . . . . 0.0 110.461 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 2.0 tppt? -80.29 -63.04 1.5 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.532 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.2 m -60.65 -57.57 12.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 110.636 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.516 ' CD1' HG13 ' A' ' 12' ' ' VAL . 75.2 mt -44.9 -48.58 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.049 -1.032 . . . . 0.0 108.942 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 17.9 t60 -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.909 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 5.1 ttp180 -80.25 -45.54 17.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.34 -0.85 . . . . 0.0 108.959 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.41 -36.68 66.02 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.418 -0.801 . . . . 0.0 108.963 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 39.4 t -70.54 -30.57 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.761 . . . . 0.0 109.79 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 15.9 m -79.6 -25.09 41.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.858 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 t80 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.252 0.549 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.47 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -61.1 -34.95 75.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 110.175 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.467 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.67 -25.95 66.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.279 -0.888 . . . . 0.0 110.101 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -73.62 -33.42 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -65.6 -30.96 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.206 -0.934 . . . . 0.0 108.645 179.618 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -68.99 -30.6 69.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.996 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.5 mtm105 -85.42 -63.94 1.24 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -41.35 -40.85 1.81 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.383 -0.823 . . . . 0.0 110.587 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 47.4 mt -79.95 -43.44 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.415 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.2 t -68.56 -47.28 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.155 -0.966 . . . . 0.0 110.243 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -58.29 -54.01 51.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.243 -0.911 . . . . 0.0 110.667 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 13' ' ' ALA . 7.5 p -54.44 -42.73 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 0.0 110.603 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -80.27 -44.57 19.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.122 -0.986 . . . . 0.0 110.644 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 tppt? -70.81 -49.85 41.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.663 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.7 m -57.05 -67.21 0.34 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.211 -0.931 . . . . 0.0 110.587 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.529 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 94.9 mt -46.92 -48.08 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.153 -0.967 . . . . 0.0 108.675 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 47.2 t-80 -65.59 -22.9 66.72 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.544 -0.862 . . . . 0.0 108.811 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.47 -49.26 11.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.082 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.529 ' CD2' ' HA ' ' A' ' 16' ' ' ILE . 2.5 pp -71.66 -31.28 66.65 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.261 -0.899 . . . . 0.0 109.028 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.2 t -72.99 -31.94 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.696 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -72.5 -29.03 63.26 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.317 -0.864 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.531 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.414 ' O ' HG22 ' A' ' 5' ' ' ILE . 9.5 p90 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.23 0.538 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.482 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -54.14 -78.84 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.14 -0.975 . . . . 0.0 110.354 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' PHE . 9.8 m-70 -41.45 -46.15 3.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.355 -0.841 . . . . 0.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -41.46 -47.03 3.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.454 -0.778 . . . . 0.0 110.625 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -63.89 -33.19 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.273 -0.892 . . . . 0.0 108.981 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -71.85 -21.6 61.65 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.385 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 23.6 mtp180 -85.55 -68.76 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.181 -0.949 . . . . 0.0 110.498 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -50.85 -38.18 47.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.258 -0.901 . . . . 0.0 110.689 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' CD1' HD13 ' A' ' 5' ' ' ILE . 27.9 mt -70.0 -72.77 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -0.945 . . . . 0.0 110.664 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 11' ' ' HIS . 8.2 p -41.94 -43.35 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 110.41 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.531 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 2.0 m-70 -53.38 -44.52 68.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.139 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 8' ' ' ALA . 11.4 t -61.75 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.11 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -49.4 -25.16 2.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.418 -0.801 . . . . 0.0 110.294 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -80.12 -56.64 4.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.73 -56.39 6.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.9 . . . . 0.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 1.7 mp -46.32 -44.0 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 0.0 108.477 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 6.8 t60 -70.19 -25.18 63.31 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.29 -44.53 19.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.374 -0.829 . . . . 0.0 108.926 178.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -34.46 66.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.478 -0.764 . . . . 0.0 109.125 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 24.2 t -70.17 -29.14 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.799 . . . . 0.0 109.834 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -77.6 -28.16 51.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.538 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.478 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.186 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 5' ' ' ILE . 24.8 t80 -54.9 -16.99 3.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 3.8 t60 -76.64 -41.66 44.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.447 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.86 -29.93 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.903 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.52 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -67.66 -32.01 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 108.665 179.599 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -69.47 -27.02 64.87 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.14 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.2 mtp180 -85.31 -49.78 7.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.48 84.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -79.71 -33.14 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.047 -1.033 . . . . 0.0 110.805 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.3 t -76.24 -55.08 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.449 ' O ' ' OG1' ' A' ' 15' ' ' THR . 1.1 m-70 -48.24 -48.88 34.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 7.7 p -58.75 -43.12 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.147 -0.971 . . . . 0.0 110.336 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' N ' HG11 ' A' ' 12' ' ' VAL . . . -79.88 -25.48 40.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.74 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.15 -42.98 22.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.077 -1.015 . . . . 0.0 110.192 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -71.76 -56.65 5.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 110.424 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -45.72 -44.43 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 108.38 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -70.03 -26.28 63.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.762 -0.775 . . . . 0.0 108.972 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.38 -41.05 25.37 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.27 -0.894 . . . . 0.0 108.86 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 2.8 tm? -74.59 -36.55 63.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.473 -0.767 . . . . 0.0 109.008 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 16' ' ' ILE . 10.9 t -68.74 -28.37 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.654 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -79.9 -25.07 40.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.585 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' ARG . 66.8 m170 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.27 0.557 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 9' ' ' ILE . 2.5 mp -42.6 -53.69 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 109.949 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.9 t80 -53.51 -29.88 38.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -77.71 -55.41 5.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 0.0 109.969 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -56.53 -45.12 81.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 5' ' ' ILE . 34.7 mt -51.29 -71.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.0 110.073 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 6' ' ' PHE . 5.5 p -47.32 -36.52 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 0.0 109.958 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -58.79 -42.62 89.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.978 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' ALA . 13.9 t -56.39 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.863 . . . . 0.0 109.755 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.14 -50.82 27.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -49.27 -66.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 19' ' ' LEU . 2.6 m -53.09 -51.11 62.9 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 110.026 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -45.0 -62.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.92 -22.53 15.25 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.822 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' THR . 2.3 ttp85 -80.0 -50.06 10.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.854 . . . . 0.0 109.029 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.609 HD12 HG22 ' A' ' 15' ' ' THR . 6.5 mt -71.02 -32.17 68.87 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.367 -0.833 . . . . 0.0 109.09 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -75.86 -32.79 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.556 -0.715 . . . . 0.0 109.798 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 19.3 m -80.41 -29.58 37.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.368 -0.832 . . . . 0.0 110.138 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.551 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 6.1 m170 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.421 0.629 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.87 -44.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.398 -0.814 . . . . 0.0 110.63 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -66.06 -38.6 88.74 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 110.739 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.1 ptm180 -85.06 -32.29 22.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.094 -1.004 . . . . 0.0 110.466 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.88 -30.3 40.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.848 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.14 -41.02 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.194 -0.942 . . . . 0.0 110.356 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . 10.1 p -67.61 -18.19 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.96 -62.34 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.0 110.128 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.6 p -44.57 -45.58 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.284 -0.885 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -70.97 -61.55 1.72 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 110.222 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.4 tppt? -45.43 -52.56 9.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 0.0 110.17 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -55.34 -60.15 3.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 12' ' ' VAL . 55.2 mt -46.38 -44.23 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.014 -1.054 . . . . 0.0 108.576 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.28 -45.52 17.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.357 -0.84 . . . . 0.0 108.858 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -71.43 -35.37 70.91 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.444 -0.785 . . . . 0.0 108.912 178.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' ILE . 19.0 t -65.91 -27.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.508 -0.745 . . . . 0.0 109.752 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -80.05 -32.68 39.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 0.0 110.089 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.489 0.662 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' HIS . 2.9 mt -42.91 -64.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.0 110.199 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -45.46 -27.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.323 -0.86 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -78.14 -64.11 1.24 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 110.307 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 1.019 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.39 -63.29 0.79 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.307 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 9' ' ' ILE . 1.8 mp -45.27 -75.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.942 . . . . 0.0 110.136 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 9' ' ' ILE . 71.1 t -42.66 -57.1 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 0.0 110.312 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.1 m-70 -42.93 -51.57 5.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 110.167 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 8' ' ' ALA . 12.7 t -55.22 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.993 . . . . 0.0 110.195 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -40.68 -37.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.551 -0.718 . . . . 0.0 110.569 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -80.11 -59.78 2.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.202 -0.936 . . . . 0.0 110.632 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.56 ' HA ' ' HB3' ' A' ' 18' ' ' ARG . 2.1 m -60.1 -58.89 6.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 0.0 110.785 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 12' ' ' VAL . 9.3 mm -44.69 -43.9 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.101 -1.0 . . . . 0.0 109.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 6.9 m170 -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.152 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' A' ' 15' ' ' THR . 6.1 ttp180 -80.18 -43.74 21.03 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.205 -0.934 . . . . 0.0 108.73 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.24 70.38 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.552 -0.717 . . . . 0.0 109.111 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 19.8 t -66.19 -28.55 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.858 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 29.5 m -80.0 -30.89 39.7 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.166 -0.959 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.005 -1.442 . . . . 0.0 109.618 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 7' ' ' ARG . 1.7 m-70 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.334 0.588 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.644 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.8 -47.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.219 -0.925 . . . . 0.0 110.256 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -60.15 -25.6 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 109.981 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 4' ' ' HIS . 2.9 mtp-105 -85.59 -51.21 6.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 109.749 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -47.87 -55.53 9.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.583 -0.698 . . . . 0.0 110.322 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 10' ' ' VAL . 13.5 pt -65.73 -43.93 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 0.0 110.206 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.5 t -62.93 -51.02 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 110.085 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -44.1 -47.69 8.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.7 t -58.46 -75.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 110.306 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -41.95 -31.24 0.32 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 16.1 ttmt -79.25 -60.86 2.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.473 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.76 -58.78 3.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.236 -0.915 . . . . 0.0 110.891 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -45.23 -43.5 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.172 -0.955 . . . . 0.0 108.649 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -72.1 -25.62 61.82 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.686 -0.805 . . . . 0.0 108.984 178.662 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.64 -44.07 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 109.05 178.807 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -34.96 67.35 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.518 -0.738 . . . . 0.0 109.19 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ILE . 40.3 t -72.06 -30.83 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 0.0 109.938 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -77.03 -22.81 52.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.206 0.527 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 4.7 pt -55.32 -46.53 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 119.277 -0.969 . . . . 0.0 108.663 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 1.6 t80 -49.07 -33.21 11.09 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.752 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -85.29 -54.74 4.41 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 109.943 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.59 -41.9 32.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 110.305 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 87.7 mt -72.93 -53.66 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.186 -0.946 . . . . 0.0 110.284 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 t -50.8 -43.94 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.994 -1.066 . . . . 0.0 109.825 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -57.57 -70.9 0.11 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.481 -0.762 . . . . 0.0 110.724 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -40.97 -39.65 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.267 -0.896 . . . . 0.0 110.6 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -74.55 -39.23 62.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.097 -1.002 . . . . 0.0 109.86 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' ARG . 11.2 tppt? -71.81 -51.35 22.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.875 . . . . 0.0 109.889 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -57.41 -60.06 4.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.556 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -46.16 -44.64 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.131 -0.98 . . . . 0.0 108.473 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.8 t60 -72.09 -24.23 61.46 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.367 -0.833 . . . . 0.0 108.893 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 7.2 ttt180 -79.92 -45.99 17.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 108.783 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.25 74.82 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.407 -0.808 . . . . 0.0 108.86 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 t -63.97 -27.41 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.6 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -76.11 -44.57 37.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.555 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.2 m170 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.237 0.541 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 2.9 mt -43.59 -64.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -47.66 -21.14 0.33 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -59.2 2.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.073 . . . . 0.0 110.897 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.607 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.86 -28.93 66.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.43 -0.794 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -80.49 -42.73 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.004 -1.06 . . . . 0.0 110.624 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 42.6 t -64.56 -50.93 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.235 -0.915 . . . . 0.0 110.568 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -54.63 42.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.583 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 8' ' ' ALA . 8.1 p -52.9 -43.65 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.045 -1.034 . . . . 0.0 110.214 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.593 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.45 -67.78 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ARG . 14.4 tppt? -45.54 -68.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.618 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.7 m -41.45 -64.56 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.368 -0.832 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -46.26 -45.56 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.134 -0.979 . . . . 0.0 108.414 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -26.44 66.81 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 15' ' ' THR . 11.1 tpt180 -80.51 -43.66 20.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 109.057 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.3 tm? -73.96 -32.54 63.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.12 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -74.69 -30.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.512 -0.743 . . . . 0.0 109.822 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -77.04 -25.11 52.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.042 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.481 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.437 0.637 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 9' ' ' ILE . 2.6 mt -43.14 -52.69 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 10' ' ' VAL . 58.5 t80 -49.17 -32.85 11.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.432 -0.793 . . . . 0.0 110.355 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 30.0 mtp180 -85.32 -47.2 10.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.93 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.1 86.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.896 . . . . 0.0 110.488 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 5' ' ' ILE . 4.9 tt -72.78 -44.53 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.282 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' N ' HG23 ' A' ' 9' ' ' ILE . 8.4 p -73.36 -11.56 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.134 -0.979 . . . . 0.0 110.107 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -80.24 -59.96 2.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.36 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.2 p -54.34 -43.59 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 0.0 110.47 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -69.42 -69.76 0.32 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.673 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 tppt? -45.08 -53.93 7.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.225 -0.922 . . . . 0.0 110.691 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ARG . 89.3 m -49.55 -70.69 0.08 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.216 -0.928 . . . . 0.0 111.228 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 12' ' ' VAL . 46.7 mt -45.63 -52.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.102 -0.999 . . . . 0.0 108.995 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -61.28 -24.32 66.31 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.481 -0.887 . . . . 0.0 108.633 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.62 -47.43 14.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.407 -0.808 . . . . 0.0 109.158 178.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.02 -31.1 65.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.338 -0.851 . . . . 0.0 109.203 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.84 -29.21 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.95 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -79.9 -26.24 40.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.27 -0.894 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.529 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.411 0.624 . . . . 0.0 110.205 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 9' ' ' ILE . 2.3 mp -49.03 -53.95 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.387 -0.821 . . . . 0.0 110.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -61.45 -12.34 14.29 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.388 -0.82 . . . . 0.0 110.231 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 4' ' ' HIS . 4.1 mtm180 -85.21 -84.03 0.16 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -0.938 . . . . 0.0 110.662 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -39.99 -30.95 0.1 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.896 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 5' ' ' ILE . 1.3 mp -80.19 -39.53 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.048 -1.033 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 29.9 t -77.25 -48.43 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 0.0 110.213 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.0 m-70 -57.75 -44.77 86.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 13' ' ' ALA . 8.0 p -61.95 -43.91 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.962 . . . . 0.0 110.392 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.59 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -75.24 -62.95 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 0.0 110.526 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -43.4 -62.39 1.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -54.46 -53.52 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.905 . . . . 0.0 110.415 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -44.46 -63.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' N ' HG22 ' A' ' 16' ' ' ILE . 51.6 t-80 -53.44 -23.16 9.23 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.449 -0.901 . . . . 0.0 108.729 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.42 -48.66 12.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.316 -0.865 . . . . 0.0 108.908 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 19' ' ' LEU . 8.9 tt -69.85 -33.99 73.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.365 -0.834 . . . . 0.0 108.9 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.68 -31.85 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.476 -0.765 . . . . 0.0 109.598 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -80.05 -28.03 39.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 110.13 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.076 0.465 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -68.57 -32.35 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.1 -1.0 . . . . 0.0 108.86 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' ILE . 40.2 m-85 -72.65 -26.51 61.67 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.002 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -48.22 9.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.0 110.002 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -55.87 -54.1 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.365 -0.834 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 85.9 mt -57.64 -49.26 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.12 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.38 -43.85 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.9 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -60.72 -67.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.875 . . . . 0.0 110.509 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 16' ' ' ILE . 6.0 p -43.44 -41.76 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 0.0 110.159 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.12 -62.25 1.67 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.236 -0.915 . . . . 0.0 110.074 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -54.46 -54.9 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.0 110.003 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.0 m -49.57 -63.19 1.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 12' ' ' VAL . 89.1 mt -46.23 -51.17 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.069 -1.02 . . . . 0.0 108.409 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -61.7 -25.89 67.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.24 -46.36 16.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.356 -0.84 . . . . 0.0 108.99 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' THR . 25.7 mt -70.4 -32.86 70.68 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.43 -0.794 . . . . 0.0 108.982 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.5 t -65.96 -30.54 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.718 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -80.21 -30.73 38.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.382 -0.824 . . . . 0.0 110.014 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.576 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.447 0.641 . . . . 0.0 110.116 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 4' ' ' HIS . 2.6 mp -40.78 -47.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.009 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.8 t80 -64.22 -36.75 85.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 0.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 4' ' ' HIS . 6.0 ptm180 -84.86 -21.1 29.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.028 -1.045 . . . . 0.0 110.078 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -80.22 -44.11 20.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 110.012 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 pp -76.21 -32.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 21.6 t -66.45 -48.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.996 . . . . 0.0 110.082 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.7 m-70 -61.21 -62.01 2.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.184 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' ALA . 3.2 p -42.84 -36.16 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 0.0 110.24 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 16' ' ' ILE . . . -79.56 -46.63 16.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.0 110.377 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 7.8 tppt? -64.15 -39.86 94.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 110.399 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.7 m -66.71 -60.92 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.734 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.016 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.8 pt -48.19 -45.5 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.948 -1.095 . . . . 0.0 108.086 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.507 ' N ' HG13 ' A' ' 16' ' ' ILE . 3.1 t60 -58.81 -28.36 65.93 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' THR . 4.3 ttm-85 -80.81 -35.07 33.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.817 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.82 -41.99 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 16' ' ' ILE . 2.4 m -71.76 -42.04 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.355 -0.841 . . . . 0.0 109.075 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 72.5 m -72.64 -21.14 61.14 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.224 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.548 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 7' ' ' ARG . 15.0 m-70 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.307 0.575 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.6 pt -46.65 -45.53 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.208 -0.932 . . . . 0.0 109.156 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -56.55 -29.5 62.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.626 -0.671 . . . . 0.0 110.016 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -82.18 -56.9 3.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 0.0 110.052 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.72 -44.06 3.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.328 -0.858 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.7 mt -80.14 -42.86 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.923 . . . . 0.0 110.499 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 6' ' ' PHE . 18.7 t -68.11 -45.68 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.278 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' HB ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -64.02 -53.77 44.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.254 -0.904 . . . . 0.0 110.87 -179.671 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 p -50.73 -45.57 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 110.737 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -74.03 -59.93 2.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.693 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 30.4 ttpt -56.49 -48.26 77.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.181 -0.949 . . . . 0.0 110.685 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ARG . 88.6 m -61.16 -70.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 0.0 110.906 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 89.7 mt -45.01 -52.89 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.0 108.606 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 20.2 t-80 -62.12 -25.24 67.62 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.983 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' THR . 61.0 ttt-85 -80.37 -46.61 15.76 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.179 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -30.98 63.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.435 -0.79 . . . . 0.0 109.52 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.7 t -78.5 -29.04 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.929 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 16.1 m -80.15 -24.96 40.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.05 -1.417 . . . . 0.0 109.588 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.3 m-70 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.336 0.589 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 9' ' ' ILE . 2.4 mp -43.98 -51.48 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.046 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.49 -25.98 52.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.515 -0.741 . . . . 0.0 110.239 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -83.33 -65.67 0.98 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.933 . . . . 0.0 110.29 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.5 -49.83 5.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.26 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.548 ' CD1' HG22 ' A' ' 5' ' ' ILE . 72.0 mt -61.96 -50.35 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.2 t -54.86 -55.03 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.15 -0.969 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' VAL . 32.9 m170 -42.71 -46.41 5.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.4 t -54.52 -73.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.232 -0.918 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -57.83 -19.59 29.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 14.8 tppt? -80.31 -53.18 6.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 110.436 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.867 HG22 HD13 ' A' ' 19' ' ' LEU . 1.1 m -72.39 -59.48 2.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 20' ' ' VAL . 9.8 mm -46.08 -38.56 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.153 -0.967 . . . . 0.0 108.561 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 48.2 t-80 -74.48 -27.72 60.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.6 -42.39 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.289 -0.882 . . . . 0.0 108.997 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 15' ' ' THR . 1.6 mp -72.77 -34.52 67.02 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.219 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 16' ' ' ILE . 20.2 t -70.18 -30.14 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.859 . . . . 0.0 109.877 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.4 m -80.07 -22.34 42.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.048 -1.418 . . . . 0.0 109.581 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' ARG . 4.8 m-70 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.378 0.608 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 9' ' ' ILE . 2.7 mp -43.3 -54.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.987 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 10' ' ' VAL . 19.4 m-85 -54.15 -24.77 19.19 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.529 -0.732 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' HIS . 13.2 mtp180 -81.99 -59.24 2.64 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.161 -0.962 . . . . 0.0 110.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -64.69 -30.6 71.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.276 -0.89 . . . . 0.0 110.48 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -74.71 -42.13 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 0.0 110.245 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' PHE . 7.4 t -59.18 -43.14 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.1 -1.0 . . . . 0.0 110.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -61.32 -67.4 0.41 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 110.517 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 13' ' ' ALA . 2.8 p -41.63 -45.85 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.295 -0.878 . . . . 0.0 110.587 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.45 -42.91 42.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 18' ' ' ARG . 15.4 ttmm -59.32 -44.06 92.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 8.7 m -65.83 -65.98 0.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.915 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 17' ' ' HIS . 2.4 pp -46.86 -40.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.046 -1.034 . . . . 0.0 108.579 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 16' ' ' ILE . 49.9 t-80 -74.21 -26.02 60.02 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.9 tpt180 -72.82 -61.04 1.95 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -40.24 79.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.726 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 16' ' ' ILE . 37.4 t -66.68 -31.98 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 28.2 m -80.17 -22.33 42.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.351 -0.843 . . . . 0.0 110.063 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.012 -1.438 . . . . 0.0 109.544 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.251 0.548 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.757 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.6 pt -62.25 -45.2 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 0.0 109.187 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.584 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.03 -20.93 65.03 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.864 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.33 -72.96 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.0 110.231 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 1.05 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -41.88 -62.94 0.81 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -45.25 -44.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.153 -0.967 . . . . 0.0 110.071 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.598 ' N ' HG23 ' A' ' 9' ' ' ILE . 24.8 t -68.29 -48.3 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 109.88 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -56.57 -16.61 6.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.8 t -79.08 -72.79 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -56.83 -56.48 20.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.452 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -45.7 -66.39 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 110.51 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.923 HG22 HD12 ' A' ' 19' ' ' LEU . 3.0 m -57.53 -60.9 2.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.23 -0.918 . . . . 0.0 110.477 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' C ' ' A' ' 12' ' ' VAL . 69.9 mt -45.7 -44.64 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.136 -0.978 . . . . 0.0 108.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 37.8 t60 -70.82 -25.87 63.05 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.95 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' HG22 ' A' ' 21' ' ' THR . 3.6 ttt180 -80.41 -40.35 26.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.375 -0.828 . . . . 0.0 109.19 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.923 HD12 HG22 ' A' ' 15' ' ' THR . 4.2 mt -76.4 -35.2 58.71 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.473 -0.767 . . . . 0.0 108.976 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 11.8 t -69.54 -31.18 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.87 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 18' ' ' ARG . 14.8 t -80.11 -24.02 40.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.139 -0.976 . . . . 0.0 110.231 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.567 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.355 0.598 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.738 HD13 HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -43.33 -44.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -61.3 -29.61 69.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.388 -0.82 . . . . 0.0 110.547 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' HIS . 18.7 mtp180 -81.58 -53.95 5.83 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.153 -0.967 . . . . 0.0 110.201 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -49.86 -37.18 29.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.541 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.738 HD12 HD13 ' A' ' 5' ' ' ILE . 58.6 mt -79.73 -54.56 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.272 -0.893 . . . . 0.0 110.586 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.6 t -47.45 -46.75 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.974 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.9 m-70 -59.2 -70.09 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.605 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.837 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.0 p -42.94 -36.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.152 -0.968 . . . . 0.0 110.162 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 110.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.6 ttpt -50.11 -44.44 52.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.219 -0.926 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -60.08 -63.18 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.29 -0.881 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 12' ' ' VAL . 35.8 mt -46.64 -42.98 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.045 -1.035 . . . . 0.0 108.322 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -68.81 -27.41 65.84 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.634 ' O ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -80.81 -43.92 19.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 108.879 178.804 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.06 -31.72 66.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.534 -0.729 . . . . 0.0 109.115 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.8 t -71.81 -35.64 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.788 . . . . 0.0 109.972 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 18' ' ' ARG . 6.5 t -80.35 -18.67 48.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.186 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.377 0.608 . . . . 0.0 110.56 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 6.1 pt -59.49 -44.77 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.029 -1.044 . . . . 0.0 108.945 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.572 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.93 -25.77 64.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.756 -0.59 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 2.4 ptm85 -85.52 -43.29 13.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 110.325 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -58.61 -43.18 89.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 0.0 110.578 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' C ' HG12 ' A' ' 12' ' ' VAL . 13.7 pt -78.58 -35.32 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.124 -0.985 . . . . 0.0 110.418 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 18.9 t -72.42 -46.16 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.973 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.5 m-70 -67.71 -52.57 36.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.07 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.7 p -44.06 -45.68 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.083 -1.01 . . . . 0.0 110.276 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.586 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.16 -57.06 3.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.146 -0.971 . . . . 0.0 110.155 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -54.44 -52.64 61.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.332 -0.855 . . . . 0.0 110.674 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.2 m -52.37 -66.01 0.46 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 110.869 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.07 HD12 ' O ' ' A' ' 12' ' ' VAL . 7.2 mt -45.43 -49.7 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.129 -0.982 . . . . 0.0 108.655 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -24.53 67.09 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.984 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' THR . 36.5 ttt180 -80.3 -47.87 13.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 108.89 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 15' ' ' THR . 66.5 mt -70.58 -33.6 71.26 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.27 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 14.4 t -70.84 -27.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.3 -0.875 . . . . 0.0 109.749 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -79.76 -28.35 40.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 110.201 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.3 m-70 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.393 0.616 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 8.3 pt -44.82 -45.23 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.824 . . . . 0.0 109.501 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -52.59 -33.81 47.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.568 -0.708 . . . . 0.0 110.272 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.08 -63.77 1.28 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.73 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -43.08 -57.24 2.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.537 -0.727 . . . . 0.0 109.978 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.5 -68.33 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -47.38 -51.01 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 15' ' ' THR . 6.1 m-70 -49.36 -31.55 9.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 110.45 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.3 t -73.08 -73.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.175 -0.953 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -53.15 -22.12 5.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -0.761 . . . . 0.0 110.461 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 2.0 tppt? -80.29 -63.04 1.5 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.532 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.2 m -60.65 -57.57 12.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 110.636 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 HG12 ' A' ' 12' ' ' VAL . 75.2 mt -44.9 -48.58 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.049 -1.032 . . . . 0.0 108.942 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 17.9 t60 -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.909 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 5.1 ttp180 -80.25 -45.54 17.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.34 -0.85 . . . . 0.0 108.959 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.41 -36.68 66.02 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.418 -0.801 . . . . 0.0 108.963 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 39.4 t -70.54 -30.57 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.761 . . . . 0.0 109.79 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 15.9 m -79.6 -25.09 41.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.858 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.28 0.562 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.95 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -65.6 -30.96 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.206 -0.934 . . . . 0.0 108.645 179.618 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -68.99 -30.6 69.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.996 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' ALA . 13.5 mtm105 -85.42 -63.94 1.24 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.35 -40.85 1.81 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.383 -0.823 . . . . 0.0 110.587 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 5' ' ' ILE . 47.4 mt -79.95 -43.44 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.415 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.2 t -68.56 -47.28 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.155 -0.966 . . . . 0.0 110.243 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -58.29 -54.01 51.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.243 -0.911 . . . . 0.0 110.667 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.5 p -54.44 -42.73 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 0.0 110.603 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.27 -44.57 19.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.122 -0.986 . . . . 0.0 110.644 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 tppt? -70.81 -49.85 41.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.663 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.7 m -57.05 -67.21 0.34 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.211 -0.931 . . . . 0.0 110.587 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 12' ' ' VAL . 94.9 mt -46.92 -48.08 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.153 -0.967 . . . . 0.0 108.675 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 47.2 t-80 -65.59 -22.9 66.72 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.544 -0.862 . . . . 0.0 108.811 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.47 -49.26 11.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.082 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -71.66 -31.28 66.65 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.261 -0.899 . . . . 0.0 109.028 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' N ' HD12 ' A' ' 19' ' ' LEU . 30.2 t -72.99 -31.94 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.696 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -72.5 -29.03 63.26 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.317 -0.864 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.531 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.277 0.56 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.713 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -63.89 -33.19 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.273 -0.892 . . . . 0.0 108.981 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -71.85 -21.6 61.65 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.385 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 10' ' ' VAL . 23.6 mtp180 -85.55 -68.76 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.181 -0.949 . . . . 0.0 110.498 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -50.85 -38.18 47.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.258 -0.901 . . . . 0.0 110.689 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 5' ' ' ILE . 27.9 mt -70.0 -72.77 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -0.945 . . . . 0.0 110.664 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 11' ' ' HIS . 8.2 p -41.94 -43.35 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 110.41 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.576 ' N ' HG13 ' A' ' 10' ' ' VAL . 2.0 m-70 -53.38 -44.52 68.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.139 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.4 t -61.75 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.11 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -49.4 -25.16 2.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.418 -0.801 . . . . 0.0 110.294 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -80.12 -56.64 4.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.73 -56.39 6.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.9 . . . . 0.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 12' ' ' VAL . 1.7 mp -46.32 -44.0 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 0.0 108.477 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 43.2 t-80 -70.19 -25.18 63.31 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.29 -44.53 19.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.374 -0.829 . . . . 0.0 108.926 178.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -34.46 66.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.478 -0.764 . . . . 0.0 109.125 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 16' ' ' ILE . 24.2 t -70.17 -29.14 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.799 . . . . 0.0 109.834 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -77.6 -28.16 51.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.538 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.3 m170 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.031 0.444 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -67.66 -32.01 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 108.665 179.599 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -69.47 -27.02 64.87 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.14 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 13.2 mtp180 -85.31 -49.78 7.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.48 84.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.948 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -79.71 -33.14 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.047 -1.033 . . . . 0.0 110.805 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.3 t -76.24 -55.08 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.1 m-70 -48.24 -48.88 34.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.7 p -58.75 -43.12 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.147 -0.971 . . . . 0.0 110.336 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -79.88 -25.48 40.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.74 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.15 -42.98 22.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.077 -1.015 . . . . 0.0 110.192 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -71.76 -56.65 5.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 110.424 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -45.72 -44.43 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 108.38 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -70.03 -26.28 63.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.762 -0.775 . . . . 0.0 108.972 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.38 -41.05 25.37 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.27 -0.894 . . . . 0.0 108.86 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.838 HD13 ' O ' ' A' ' 19' ' ' LEU . 2.8 tm? -74.59 -36.55 63.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.473 -0.767 . . . . 0.0 109.008 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 10.9 t -68.74 -28.37 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.654 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -79.9 -25.07 40.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.585 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.622 ' O ' HD12 ' A' ' 5' ' ' ILE . 28.9 t80 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.203 0.525 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -46.03 -26.17 0.68 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.291 -0.881 . . . . 0.0 110.125 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.498 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -69.92 -49.8 48.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.297 -0.877 . . . . 0.0 110.162 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' ARG . 66.8 m170 -49.26 -60.23 3.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.369 -0.832 . . . . 0.0 110.224 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.5 mp -42.6 -53.69 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 109.949 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.9 t80 -53.51 -29.88 38.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -77.71 -55.41 5.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 0.0 109.969 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -56.53 -45.12 81.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 5' ' ' ILE . 34.7 mt -51.29 -71.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.0 110.073 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 6' ' ' PHE . 5.5 p -47.32 -36.52 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 0.0 109.958 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -58.79 -42.62 89.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.978 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' ALA . 13.9 t -56.39 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.863 . . . . 0.0 109.755 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.14 -50.82 27.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -49.27 -66.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 19' ' ' LEU . 2.6 m -53.09 -51.11 62.9 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 110.026 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -45.0 -62.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.92 -22.53 15.25 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.822 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' THR . 2.3 ttp85 -80.0 -50.06 10.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.854 . . . . 0.0 109.029 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.609 HD12 HG22 ' A' ' 15' ' ' THR . 6.5 mt -71.02 -32.17 68.87 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.367 -0.833 . . . . 0.0 109.09 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -75.86 -32.79 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.556 -0.715 . . . . 0.0 109.798 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 19.3 m -80.41 -29.58 37.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.368 -0.832 . . . . 0.0 110.138 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.551 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.251 0.548 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HA ' ' CG2' ' A' ' 5' ' ' ILE . 9.4 m-85 -64.37 -18.39 64.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.89 -43.51 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 6.1 m170 -75.18 -56.62 4.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.371 -0.831 . . . . 0.0 110.068 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.87 -44.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.398 -0.814 . . . . 0.0 110.63 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -66.06 -38.6 88.74 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 110.739 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.1 ptm180 -85.06 -32.29 22.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.094 -1.004 . . . . 0.0 110.466 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.88 -30.3 40.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.848 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.14 -41.02 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.194 -0.942 . . . . 0.0 110.356 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . 10.1 p -67.61 -18.19 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.96 -62.34 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.0 110.128 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.6 p -44.57 -45.58 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.284 -0.885 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -70.97 -61.55 1.72 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 110.222 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.4 tppt? -45.43 -52.56 9.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 0.0 110.17 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -55.34 -60.15 3.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 12' ' ' VAL . 55.2 mt -46.38 -44.23 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.014 -1.054 . . . . 0.0 108.576 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.28 -45.52 17.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.357 -0.84 . . . . 0.0 108.858 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -71.43 -35.37 70.91 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.444 -0.785 . . . . 0.0 108.912 178.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' ILE . 19.0 t -65.91 -27.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.508 -0.745 . . . . 0.0 109.752 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -80.05 -32.68 39.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 0.0 110.089 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.443 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.9 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.447 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -49.98 -38.48 37.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.7 m-70 -62.39 -48.7 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.31 -62.9 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.379 -0.826 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 2' ' ' PHE . 2.9 mt -42.91 -64.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.0 110.199 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -45.46 -27.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.323 -0.86 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -78.14 -64.11 1.24 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 110.307 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 1.019 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.39 -63.29 0.79 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.307 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 9' ' ' ILE . 1.8 mp -45.27 -75.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.942 . . . . 0.0 110.136 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 9' ' ' ILE . 71.1 t -42.66 -57.1 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 0.0 110.312 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.1 m-70 -42.93 -51.57 5.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 110.167 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 8' ' ' ALA . 12.7 t -55.22 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.993 . . . . 0.0 110.195 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -40.68 -37.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.551 -0.718 . . . . 0.0 110.569 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -80.11 -59.78 2.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.202 -0.936 . . . . 0.0 110.632 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.56 ' HA ' ' HB3' ' A' ' 18' ' ' ARG . 2.1 m -60.1 -58.89 6.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 0.0 110.785 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 12' ' ' VAL . 9.3 mm -44.69 -43.9 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.101 -1.0 . . . . 0.0 109.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 6.9 m170 -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.152 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' A' ' 15' ' ' THR . 6.1 ttp180 -80.18 -43.74 21.03 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.205 -0.934 . . . . 0.0 108.73 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.24 70.38 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.552 -0.717 . . . . 0.0 109.111 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 19.8 t -66.19 -28.55 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.858 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 29.5 m -80.0 -30.89 39.7 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.166 -0.959 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.005 -1.442 . . . . 0.0 109.618 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.156 0.503 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -83.2 -17.63 42.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -74.84 -61.54 1.85 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 110.194 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 7' ' ' ARG . 1.7 m-70 -61.86 -49.83 74.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.546 -0.721 . . . . 0.0 110.498 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.644 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.8 -47.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.219 -0.925 . . . . 0.0 110.256 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -60.15 -25.6 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 109.981 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 2.9 mtp-105 -85.59 -51.21 6.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 109.749 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -47.87 -55.53 9.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.583 -0.698 . . . . 0.0 110.322 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 10' ' ' VAL . 13.5 pt -65.73 -43.93 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 0.0 110.206 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.5 t -62.93 -51.02 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 110.085 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -44.1 -47.69 8.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.7 t -58.46 -75.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 110.306 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -41.95 -31.24 0.32 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 16.1 ttmt -79.25 -60.86 2.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.473 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.76 -58.78 3.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.236 -0.915 . . . . 0.0 110.891 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -45.23 -43.5 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.172 -0.955 . . . . 0.0 108.649 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -72.1 -25.62 61.82 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.686 -0.805 . . . . 0.0 108.984 178.662 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.64 -44.07 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 109.05 178.807 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -34.96 67.35 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.518 -0.738 . . . . 0.0 109.19 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ILE . 40.3 t -72.06 -30.83 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 0.0 109.938 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -77.03 -22.81 52.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.293 0.568 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' O ' HG12 ' A' ' 5' ' ' ILE . 50.3 m-85 -62.76 -74.67 0.09 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.478 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 25.7 p80 -40.24 -28.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.417 -0.802 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -63.0 -45.43 92.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.315 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 4.7 pt -55.32 -46.53 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 119.277 -0.969 . . . . 0.0 108.663 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 1.6 t80 -49.07 -33.21 11.09 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.752 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 38.2 mtp180 -85.29 -54.74 4.41 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 109.943 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.59 -41.9 32.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 110.305 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 87.7 mt -72.93 -53.66 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.186 -0.946 . . . . 0.0 110.284 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 t -50.8 -43.94 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.994 -1.066 . . . . 0.0 109.825 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -57.57 -70.9 0.11 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.481 -0.762 . . . . 0.0 110.724 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -40.97 -39.65 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.267 -0.896 . . . . 0.0 110.6 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -74.55 -39.23 62.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.097 -1.002 . . . . 0.0 109.86 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' ARG . 11.2 tppt? -71.81 -51.35 22.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.875 . . . . 0.0 109.889 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -57.41 -60.06 4.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.556 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -46.16 -44.64 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.131 -0.98 . . . . 0.0 108.473 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.8 t60 -72.09 -24.23 61.46 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.367 -0.833 . . . . 0.0 108.893 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 7.2 ttt180 -79.92 -45.99 17.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 108.783 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.25 74.82 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.407 -0.808 . . . . 0.0 108.86 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 t -63.97 -27.41 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.6 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -76.11 -44.57 37.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.555 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.917 ' O ' HD12 ' A' ' 5' ' ' ILE . 85.8 m-85 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.318 0.58 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 2.8 m-30 -46.62 -33.04 3.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.915 . . . . 0.0 110.193 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -52.56 -72.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' HIS . 12.2 m170 -40.68 -63.86 0.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.917 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.9 mt -43.59 -64.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -47.66 -21.14 0.33 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -85.12 -59.2 2.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.073 . . . . 0.0 110.897 -179.736 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.607 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.86 -28.93 66.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.43 -0.794 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -80.49 -42.73 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.004 -1.06 . . . . 0.0 110.624 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 42.6 t -64.56 -50.93 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.235 -0.915 . . . . 0.0 110.568 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -54.63 42.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.583 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 8' ' ' ALA . 8.1 p -52.9 -43.65 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.045 -1.034 . . . . 0.0 110.214 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.593 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.45 -67.78 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ARG . 14.4 tppt? -45.54 -68.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.618 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.7 m -41.45 -64.56 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.368 -0.832 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -46.26 -45.56 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.134 -0.979 . . . . 0.0 108.414 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -26.44 66.81 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 15' ' ' THR . 11.1 tpt180 -80.51 -43.66 20.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 109.057 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.3 tm? -73.96 -32.54 63.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.12 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -74.69 -30.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.512 -0.743 . . . . 0.0 109.822 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -77.04 -25.11 52.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.042 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.481 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.238 0.542 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -49.53 -39.51 34.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 110.073 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 17.9 p80 -62.31 -46.51 88.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.325 -0.86 . . . . 0.0 110.045 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.8 OUTLIER -44.23 -61.89 1.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 9' ' ' ILE . 2.6 mt -43.14 -52.69 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 10' ' ' VAL . 58.5 t80 -49.17 -32.85 11.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.432 -0.793 . . . . 0.0 110.355 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 30.0 mtp180 -85.32 -47.2 10.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.93 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.1 86.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.896 . . . . 0.0 110.488 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 5' ' ' ILE . 4.9 tt -72.78 -44.53 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.282 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' N ' HG23 ' A' ' 9' ' ' ILE . 8.4 p -73.36 -11.56 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.134 -0.979 . . . . 0.0 110.107 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -80.24 -59.96 2.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.36 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.2 p -54.34 -43.59 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 0.0 110.47 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -69.42 -69.76 0.32 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.673 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 tppt? -45.08 -53.93 7.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.225 -0.922 . . . . 0.0 110.691 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ARG . 89.3 m -49.55 -70.69 0.08 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.216 -0.928 . . . . 0.0 111.228 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 12' ' ' VAL . 46.7 mt -45.63 -52.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.102 -0.999 . . . . 0.0 108.995 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -61.28 -24.32 66.31 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.481 -0.887 . . . . 0.0 108.633 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.62 -47.43 14.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.407 -0.808 . . . . 0.0 109.158 178.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.02 -31.1 65.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.338 -0.851 . . . . 0.0 109.203 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.84 -29.21 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.95 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -79.9 -26.24 40.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.27 -0.894 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.529 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.725 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.321 0.581 . . . . 0.0 110.187 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 6' ' ' PHE . 15.3 t80 -46.23 -47.47 17.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.297 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 60.6 t60 -54.71 -46.47 74.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.172 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -49.61 -67.8 0.23 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 0.0 110.205 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 9' ' ' ILE . 2.3 mp -49.03 -53.95 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.387 -0.821 . . . . 0.0 110.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -61.45 -12.34 14.29 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.388 -0.82 . . . . 0.0 110.231 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 4' ' ' HIS . 4.1 mtm180 -85.21 -84.03 0.16 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -0.938 . . . . 0.0 110.662 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -39.99 -30.95 0.1 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.896 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 5' ' ' ILE . 1.3 mp -80.19 -39.53 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.048 -1.033 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 29.9 t -77.25 -48.43 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 0.0 110.213 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.0 m-70 -57.75 -44.77 86.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 13' ' ' ALA . 8.0 p -61.95 -43.91 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.962 . . . . 0.0 110.392 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.59 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -75.24 -62.95 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 0.0 110.526 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -43.4 -62.39 1.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -54.46 -53.52 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.905 . . . . 0.0 110.415 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -44.46 -63.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' N ' HG22 ' A' ' 16' ' ' ILE . 51.6 t-80 -53.44 -23.16 9.23 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.449 -0.901 . . . . 0.0 108.729 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.42 -48.66 12.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.316 -0.865 . . . . 0.0 108.908 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 19' ' ' LEU . 8.9 tt -69.85 -33.99 73.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.365 -0.834 . . . . 0.0 108.9 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.68 -31.85 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.476 -0.765 . . . . 0.0 109.598 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -80.05 -28.03 39.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 110.13 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' HB2' ' CE1' ' A' ' 3' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.216 0.531 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -51.94 -63.52 1.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 110.358 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 1' ' ' PHE . 7.3 p80 -45.52 -27.39 0.73 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.326 -0.859 . . . . 0.0 110.395 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.5 OUTLIER -76.35 -27.4 56.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.216 -0.927 . . . . 0.0 110.6 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -68.57 -32.35 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.1 -1.0 . . . . 0.0 108.86 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' ILE . 40.2 m-85 -72.65 -26.51 61.67 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.002 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -84.56 -48.22 9.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.0 110.002 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -55.87 -54.1 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.365 -0.834 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 85.9 mt -57.64 -49.26 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.12 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.38 -43.85 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.9 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -60.72 -67.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.875 . . . . 0.0 110.509 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 16' ' ' ILE . 6.0 p -43.44 -41.76 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 0.0 110.159 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.12 -62.25 1.67 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.236 -0.915 . . . . 0.0 110.074 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -54.46 -54.9 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.0 110.003 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.0 m -49.57 -63.19 1.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 12' ' ' VAL . 89.1 mt -46.23 -51.17 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.069 -1.02 . . . . 0.0 108.409 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -61.7 -25.89 67.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.24 -46.36 16.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.356 -0.84 . . . . 0.0 108.99 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' THR . 25.7 mt -70.4 -32.86 70.68 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.43 -0.794 . . . . 0.0 108.982 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.5 t -65.96 -30.54 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.718 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -80.21 -30.73 38.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.382 -0.824 . . . . 0.0 110.014 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.576 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.779 ' O ' HD12 ' A' ' 5' ' ' ILE . 21.7 p90 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.206 0.527 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -62.74 -29.37 70.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.265 -0.897 . . . . 0.0 110.008 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 49.6 m-70 -63.58 -31.77 73.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 0.0 109.961 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -71.63 -69.94 0.35 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 110.116 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.6 mp -40.78 -47.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.009 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.8 t80 -64.22 -36.75 85.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 0.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 4' ' ' HIS . 6.0 ptm180 -84.86 -21.1 29.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.028 -1.045 . . . . 0.0 110.078 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -80.22 -44.11 20.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 110.012 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 pp -76.21 -32.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 21.6 t -66.45 -48.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.996 . . . . 0.0 110.082 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.7 m-70 -61.21 -62.01 2.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.184 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' ALA . 3.2 p -42.84 -36.16 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 0.0 110.24 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 16' ' ' ILE . . . -79.56 -46.63 16.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.0 110.377 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 7.8 tppt? -64.15 -39.86 94.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 110.399 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.7 m -66.71 -60.92 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.734 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.016 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.8 pt -48.19 -45.5 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.948 -1.095 . . . . 0.0 108.086 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.507 ' N ' HG13 ' A' ' 16' ' ' ILE . 3.1 t60 -58.81 -28.36 65.93 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' THR . 4.3 ttm-85 -80.81 -35.07 33.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.817 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.82 -41.99 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 16' ' ' ILE . 2.4 m -71.76 -42.04 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.355 -0.841 . . . . 0.0 109.075 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 72.5 m -72.64 -21.14 61.14 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.224 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.548 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.285 0.564 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 5' ' ' ILE . 89.8 m-85 -57.2 -21.55 34.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.259 -0.9 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 86.0 m-70 -74.73 -29.46 61.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 7' ' ' ARG . 15.0 m-70 -73.99 -55.56 5.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.89 . . . . 0.0 110.492 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.6 pt -46.65 -45.53 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.208 -0.932 . . . . 0.0 109.156 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -56.55 -29.5 62.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.626 -0.671 . . . . 0.0 110.016 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -82.18 -56.9 3.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 0.0 110.052 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.72 -44.06 3.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.328 -0.858 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.7 mt -80.14 -42.86 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.923 . . . . 0.0 110.499 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 6' ' ' PHE . 18.7 t -68.11 -45.68 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.278 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' HB ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -64.02 -53.77 44.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.254 -0.904 . . . . 0.0 110.87 -179.671 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 p -50.73 -45.57 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 110.737 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -74.03 -59.93 2.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.693 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 30.4 ttpt -56.49 -48.26 77.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.181 -0.949 . . . . 0.0 110.685 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ARG . 88.6 m -61.16 -70.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 0.0 110.906 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 89.7 mt -45.01 -52.89 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.0 108.606 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 20.2 t-80 -62.12 -25.24 67.62 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.983 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' THR . 61.0 ttt-85 -80.37 -46.61 15.76 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.179 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -30.98 63.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.435 -0.79 . . . . 0.0 109.52 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.7 t -78.5 -29.04 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.929 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 16.1 m -80.15 -24.96 40.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.05 -1.417 . . . . 0.0 109.588 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.839 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' HIS . 2.2 t80 -45.63 -60.79 2.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.233 -0.917 . . . . 0.0 110.168 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -44.12 -55.25 4.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 110.09 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 1.3 m-70 -41.58 -68.26 0.2 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.498 -0.751 . . . . 0.0 110.201 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.4 mp -43.98 -51.48 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.046 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.49 -25.98 52.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.515 -0.741 . . . . 0.0 110.239 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -83.33 -65.67 0.98 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.933 . . . . 0.0 110.29 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.5 -49.83 5.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.26 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.548 ' CD1' HG22 ' A' ' 5' ' ' ILE . 72.0 mt -61.96 -50.35 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.2 t -54.86 -55.03 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.15 -0.969 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' VAL . 32.9 m170 -42.71 -46.41 5.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.4 t -54.52 -73.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.232 -0.918 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -57.83 -19.59 29.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 14.8 tppt? -80.31 -53.18 6.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 110.436 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.867 HG22 HD13 ' A' ' 19' ' ' LEU . 1.1 m -72.39 -59.48 2.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 20' ' ' VAL . 9.8 mm -46.08 -38.56 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.153 -0.967 . . . . 0.0 108.561 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 48.2 t-80 -74.48 -27.72 60.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.6 -42.39 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.289 -0.882 . . . . 0.0 108.997 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 15' ' ' THR . 1.6 mp -72.77 -34.52 67.02 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.219 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 16' ' ' ILE . 20.2 t -70.18 -30.14 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.859 . . . . 0.0 109.877 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.4 m -80.07 -22.34 42.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.048 -1.418 . . . . 0.0 109.581 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.89 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.272 0.558 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.553 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 1.1 m-30 -43.62 -46.51 7.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 110.356 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -60.26 -53.57 56.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.234 -0.916 . . . . 0.0 110.101 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' ARG . 4.8 m-70 -41.2 -59.3 1.55 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.477 -0.764 . . . . 0.0 110.342 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.7 mp -43.3 -54.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.987 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 10' ' ' VAL . 19.4 m-85 -54.15 -24.77 19.19 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.529 -0.732 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.2 mtp180 -81.99 -59.24 2.64 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.161 -0.962 . . . . 0.0 110.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -64.69 -30.6 71.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.276 -0.89 . . . . 0.0 110.48 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -74.71 -42.13 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 0.0 110.245 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' PHE . 7.4 t -59.18 -43.14 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.1 -1.0 . . . . 0.0 110.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -61.32 -67.4 0.41 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 110.517 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 13' ' ' ALA . 2.8 p -41.63 -45.85 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.295 -0.878 . . . . 0.0 110.587 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.45 -42.91 42.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 18' ' ' ARG . 15.4 ttmm -59.32 -44.06 92.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 8.7 m -65.83 -65.98 0.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.915 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 17' ' ' HIS . 2.4 pp -46.86 -40.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.046 -1.034 . . . . 0.0 108.579 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 16' ' ' ILE . 49.9 t-80 -74.21 -26.02 60.02 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.9 tpt180 -72.82 -61.04 1.95 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -40.24 79.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.726 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 16' ' ' ILE . 37.4 t -66.68 -31.98 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 28.2 m -80.17 -22.33 42.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.351 -0.843 . . . . 0.0 110.063 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.012 -1.438 . . . . 0.0 109.544 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.546 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.232 0.539 . . . . 0.0 110.17 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -43.16 -35.44 1.37 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 110.232 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-80 -80.31 -24.8 39.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' PHE . 27.3 m170 -80.14 -40.98 26.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.301 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.757 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.6 pt -62.25 -45.2 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 0.0 109.187 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.03 -20.93 65.03 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.864 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.33 -72.96 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.0 110.231 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 1.05 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -41.88 -62.94 0.81 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -45.25 -44.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.153 -0.967 . . . . 0.0 110.071 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.598 ' N ' HG23 ' A' ' 9' ' ' ILE . 24.8 t -68.29 -48.3 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 109.88 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -56.57 -16.61 6.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.8 t -79.08 -72.79 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -56.83 -56.48 20.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.452 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -45.7 -66.39 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 110.51 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.923 HG22 HD12 ' A' ' 19' ' ' LEU . 3.0 m -57.53 -60.9 2.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.23 -0.918 . . . . 0.0 110.477 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' C ' ' A' ' 12' ' ' VAL . 69.9 mt -45.7 -44.64 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.136 -0.978 . . . . 0.0 108.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 37.8 t60 -70.82 -25.87 63.05 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.95 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' HG22 ' A' ' 21' ' ' THR . 3.6 ttt180 -80.41 -40.35 26.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.375 -0.828 . . . . 0.0 109.19 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.923 HD12 HG22 ' A' ' 15' ' ' THR . 4.2 mt -76.4 -35.2 58.71 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.473 -0.767 . . . . 0.0 108.976 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 11.8 t -69.54 -31.18 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.87 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 18' ' ' ARG . 14.8 t -80.11 -24.02 40.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.139 -0.976 . . . . 0.0 110.231 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.567 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 20.3 p90 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.22 0.533 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -59.52 -14.16 11.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.32 -0.862 . . . . 0.0 110.215 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 19.4 m-70 -76.6 -57.57 3.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.227 -0.921 . . . . 0.0 110.006 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -52.62 -57.58 9.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.76 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.738 HD13 HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -43.33 -44.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -61.3 -29.61 69.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.388 -0.82 . . . . 0.0 110.547 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 18.7 mtp180 -81.58 -53.95 5.83 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.153 -0.967 . . . . 0.0 110.201 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -49.86 -37.18 29.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.541 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.738 HD12 HD13 ' A' ' 5' ' ' ILE . 58.6 mt -79.73 -54.56 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.272 -0.893 . . . . 0.0 110.586 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.6 t -47.45 -46.75 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.974 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.9 m-70 -59.2 -70.09 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.605 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.837 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.0 p -42.94 -36.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.152 -0.968 . . . . 0.0 110.162 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 110.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.6 ttpt -50.11 -44.44 52.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.219 -0.926 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -60.08 -63.18 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.29 -0.881 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 12' ' ' VAL . 35.8 mt -46.64 -42.98 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.045 -1.035 . . . . 0.0 108.322 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -68.81 -27.41 65.84 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.634 ' O ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -80.81 -43.92 19.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 108.879 178.804 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.06 -31.72 66.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.534 -0.729 . . . . 0.0 109.115 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.8 t -71.81 -35.64 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.788 . . . . 0.0 109.972 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 18' ' ' ARG . 6.5 t -80.35 -18.67 48.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.186 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.546 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.262 0.553 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 5' ' ' ILE . 24.1 m-85 -68.54 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 0.0 110.39 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 9.9 p80 -40.86 -27.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 110.492 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -58.67 -50.46 73.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.201 -0.937 . . . . 0.0 110.56 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 6.1 pt -59.49 -44.77 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.029 -1.044 . . . . 0.0 108.945 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.572 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.93 -25.77 64.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.756 -0.59 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 2.4 ptm85 -85.52 -43.29 13.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 110.325 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -58.61 -43.18 89.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 0.0 110.578 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' C ' HG12 ' A' ' 12' ' ' VAL . 13.7 pt -78.58 -35.32 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.124 -0.985 . . . . 0.0 110.418 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 18.9 t -72.42 -46.16 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.973 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.5 m-70 -67.71 -52.57 36.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.07 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.7 p -44.06 -45.68 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.083 -1.01 . . . . 0.0 110.276 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.586 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.16 -57.06 3.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.146 -0.971 . . . . 0.0 110.155 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -54.44 -52.64 61.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.332 -0.855 . . . . 0.0 110.674 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.2 m -52.37 -66.01 0.46 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 110.869 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.07 HD12 ' O ' ' A' ' 12' ' ' VAL . 7.2 mt -45.43 -49.7 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.129 -0.982 . . . . 0.0 108.655 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -24.53 67.09 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.984 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' THR . 36.5 ttt180 -80.3 -47.87 13.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 108.89 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 15' ' ' THR . 66.5 mt -70.58 -33.6 71.26 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.27 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 14.4 t -70.84 -27.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.3 -0.875 . . . . 0.0 109.749 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -79.76 -28.35 40.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 110.201 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 5' ' ' ILE . 56.3 m-85 -66.52 -24.07 66.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 11.7 m-70 -74.29 -32.06 62.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.955 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.3 m-70 -68.87 -60.19 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 0.0 110.438 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.575 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 8.3 pt -44.82 -45.23 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.824 . . . . 0.0 109.501 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -52.59 -33.81 47.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.568 -0.708 . . . . 0.0 110.272 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.08 -63.77 1.28 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.73 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -43.08 -57.24 2.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.537 -0.727 . . . . 0.0 109.978 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.5 -68.33 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -47.38 -51.01 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 15' ' ' THR . 6.1 m-70 -49.36 -31.55 9.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 110.45 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.3 t -73.08 -73.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.175 -0.953 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -53.15 -22.12 5.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -0.761 . . . . 0.0 110.461 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 2.0 tppt? -80.29 -63.04 1.5 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.532 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.2 m -60.65 -57.57 12.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 110.636 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 HG12 ' A' ' 12' ' ' VAL . 75.2 mt -44.9 -48.58 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.049 -1.032 . . . . 0.0 108.942 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 17.9 t60 -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.909 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 5.1 ttp180 -80.25 -45.54 17.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.34 -0.85 . . . . 0.0 108.959 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.41 -36.68 66.02 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.418 -0.801 . . . . 0.0 108.963 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 39.4 t -70.54 -30.57 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.761 . . . . 0.0 109.79 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 15.9 m -79.6 -25.09 41.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.858 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 t80 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.252 0.549 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.496 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -61.1 -34.95 75.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 110.175 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.67 -25.95 66.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.279 -0.888 . . . . 0.0 110.101 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -73.62 -33.42 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.95 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -65.6 -30.96 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.206 -0.934 . . . . 0.0 108.645 179.618 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -68.99 -30.6 69.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.996 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.5 mtm105 -85.42 -63.94 1.24 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.35 -40.85 1.81 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.383 -0.823 . . . . 0.0 110.587 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 5' ' ' ILE . 47.4 mt -79.95 -43.44 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.415 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.2 t -68.56 -47.28 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.155 -0.966 . . . . 0.0 110.243 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -58.29 -54.01 51.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.243 -0.911 . . . . 0.0 110.667 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.5 p -54.44 -42.73 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 0.0 110.603 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.27 -44.57 19.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.122 -0.986 . . . . 0.0 110.644 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 tppt? -70.81 -49.85 41.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.663 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.7 m -57.05 -67.21 0.34 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.211 -0.931 . . . . 0.0 110.587 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 12' ' ' VAL . 94.9 mt -46.92 -48.08 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.153 -0.967 . . . . 0.0 108.675 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 47.2 t-80 -65.59 -22.9 66.72 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.544 -0.862 . . . . 0.0 108.811 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.47 -49.26 11.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.082 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -71.66 -31.28 66.65 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.261 -0.899 . . . . 0.0 109.028 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' N ' HD12 ' A' ' 19' ' ' LEU . 30.2 t -72.99 -31.94 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.696 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -72.5 -29.03 63.26 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.317 -0.864 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.531 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 9.5 p90 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.23 0.538 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -54.14 -78.84 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.14 -0.975 . . . . 0.0 110.354 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.495 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 9.8 m-70 -41.45 -46.15 3.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.355 -0.841 . . . . 0.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -41.46 -47.03 3.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.454 -0.778 . . . . 0.0 110.625 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.713 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -63.89 -33.19 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.273 -0.892 . . . . 0.0 108.981 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -71.85 -21.6 61.65 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.385 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 23.6 mtp180 -85.55 -68.76 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.181 -0.949 . . . . 0.0 110.498 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -50.85 -38.18 47.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.258 -0.901 . . . . 0.0 110.689 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 5' ' ' ILE . 27.9 mt -70.0 -72.77 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -0.945 . . . . 0.0 110.664 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 11' ' ' HIS . 8.2 p -41.94 -43.35 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 110.41 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.576 ' N ' HG13 ' A' ' 10' ' ' VAL . 2.0 m-70 -53.38 -44.52 68.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.139 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.4 t -61.75 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.11 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -49.4 -25.16 2.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.418 -0.801 . . . . 0.0 110.294 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -80.12 -56.64 4.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.73 -56.39 6.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.9 . . . . 0.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 12' ' ' VAL . 1.7 mp -46.32 -44.0 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 0.0 108.477 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 43.2 t-80 -70.19 -25.18 63.31 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.29 -44.53 19.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.374 -0.829 . . . . 0.0 108.926 178.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -34.46 66.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.478 -0.764 . . . . 0.0 109.125 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 16' ' ' ILE . 24.2 t -70.17 -29.14 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.799 . . . . 0.0 109.834 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -77.6 -28.16 51.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.538 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.186 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.504 ' O ' HG13 ' A' ' 5' ' ' ILE . 24.8 t80 -54.9 -16.99 3.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.509 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 3.8 t60 -76.64 -41.66 44.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.447 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.86 -29.93 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.903 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -67.66 -32.01 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 108.665 179.599 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -69.47 -27.02 64.87 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.14 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.2 mtp180 -85.31 -49.78 7.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.48 84.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.948 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -79.71 -33.14 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.047 -1.033 . . . . 0.0 110.805 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.3 t -76.24 -55.08 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.1 m-70 -48.24 -48.88 34.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.7 p -58.75 -43.12 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.147 -0.971 . . . . 0.0 110.336 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -79.88 -25.48 40.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.74 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.15 -42.98 22.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.077 -1.015 . . . . 0.0 110.192 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -71.76 -56.65 5.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 110.424 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -45.72 -44.43 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 108.38 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -70.03 -26.28 63.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.762 -0.775 . . . . 0.0 108.972 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.38 -41.05 25.37 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.27 -0.894 . . . . 0.0 108.86 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.838 HD13 ' O ' ' A' ' 19' ' ' LEU . 2.8 tm? -74.59 -36.55 63.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.473 -0.767 . . . . 0.0 109.008 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 10.9 t -68.74 -28.37 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.654 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -79.9 -25.07 40.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.585 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' ARG . 66.8 m170 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.27 0.557 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 9' ' ' ILE . 2.5 mp -42.6 -53.69 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 109.949 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.9 t80 -53.51 -29.88 38.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -77.71 -55.41 5.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 0.0 109.969 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -56.53 -45.12 81.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 5' ' ' ILE . 34.7 mt -51.29 -71.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.0 110.073 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 6' ' ' PHE . 5.5 p -47.32 -36.52 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 0.0 109.958 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -58.79 -42.62 89.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.978 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' ALA . 13.9 t -56.39 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.863 . . . . 0.0 109.755 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.14 -50.82 27.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -49.27 -66.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 19' ' ' LEU . 2.6 m -53.09 -51.11 62.9 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 110.026 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -45.0 -62.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.92 -22.53 15.25 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.822 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' THR . 2.3 ttp85 -80.0 -50.06 10.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.854 . . . . 0.0 109.029 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.609 HD12 HG22 ' A' ' 15' ' ' THR . 6.5 mt -71.02 -32.17 68.87 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.367 -0.833 . . . . 0.0 109.09 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -75.86 -32.79 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.556 -0.715 . . . . 0.0 109.798 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 19.3 m -80.41 -29.58 37.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.368 -0.832 . . . . 0.0 110.138 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.551 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 6.1 m170 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.421 0.629 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.87 -44.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.398 -0.814 . . . . 0.0 110.63 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -66.06 -38.6 88.74 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 110.739 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.1 ptm180 -85.06 -32.29 22.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.094 -1.004 . . . . 0.0 110.466 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.88 -30.3 40.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.848 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.14 -41.02 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.194 -0.942 . . . . 0.0 110.356 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . 10.1 p -67.61 -18.19 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.96 -62.34 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.0 110.128 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.6 p -44.57 -45.58 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.284 -0.885 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -70.97 -61.55 1.72 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 110.222 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.4 tppt? -45.43 -52.56 9.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 0.0 110.17 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -55.34 -60.15 3.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 12' ' ' VAL . 55.2 mt -46.38 -44.23 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.014 -1.054 . . . . 0.0 108.576 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.28 -45.52 17.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.357 -0.84 . . . . 0.0 108.858 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -71.43 -35.37 70.91 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.444 -0.785 . . . . 0.0 108.912 178.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' ILE . 19.0 t -65.91 -27.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.508 -0.745 . . . . 0.0 109.752 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -80.05 -32.68 39.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 0.0 110.089 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.489 0.662 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' HIS . 2.9 mt -42.91 -64.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.0 110.199 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -45.46 -27.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.323 -0.86 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -78.14 -64.11 1.24 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 110.307 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 1.019 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.39 -63.29 0.79 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.307 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 9' ' ' ILE . 1.8 mp -45.27 -75.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.942 . . . . 0.0 110.136 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 9' ' ' ILE . 71.1 t -42.66 -57.1 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 0.0 110.312 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.1 m-70 -42.93 -51.57 5.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 110.167 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 8' ' ' ALA . 12.7 t -55.22 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.993 . . . . 0.0 110.195 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -40.68 -37.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.551 -0.718 . . . . 0.0 110.569 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -80.11 -59.78 2.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.202 -0.936 . . . . 0.0 110.632 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.56 ' HA ' ' HB3' ' A' ' 18' ' ' ARG . 2.1 m -60.1 -58.89 6.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 0.0 110.785 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 12' ' ' VAL . 9.3 mm -44.69 -43.9 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.101 -1.0 . . . . 0.0 109.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 7.1 m-70 -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.152 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' A' ' 15' ' ' THR . 6.1 ttp180 -80.18 -43.74 21.03 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.205 -0.934 . . . . 0.0 108.73 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.24 70.38 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.552 -0.717 . . . . 0.0 109.111 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 19.8 t -66.19 -28.55 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.858 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 29.5 m -80.0 -30.89 39.7 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.166 -0.959 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.005 -1.442 . . . . 0.0 109.618 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.506 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 19.9 m170 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.334 0.588 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.644 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.8 -47.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.219 -0.925 . . . . 0.0 110.256 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -60.15 -25.6 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 109.981 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.596 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 2.9 mtp-105 -85.59 -51.21 6.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 109.749 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -47.87 -55.53 9.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.583 -0.698 . . . . 0.0 110.322 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 10' ' ' VAL . 13.5 pt -65.73 -43.93 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 0.0 110.206 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.5 t -62.93 -51.02 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 110.085 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 38.4 m170 -44.1 -47.69 8.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.7 t -58.46 -75.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 110.306 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -41.95 -31.24 0.32 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 16.1 ttmt -79.25 -60.86 2.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.473 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.76 -58.78 3.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.236 -0.915 . . . . 0.0 110.891 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -45.23 -43.5 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.172 -0.955 . . . . 0.0 108.649 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -72.1 -25.62 61.82 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.686 -0.805 . . . . 0.0 108.984 178.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.64 -44.07 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 109.05 178.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -34.96 67.35 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.518 -0.738 . . . . 0.0 109.19 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ILE . 40.3 t -72.06 -30.83 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 0.0 109.938 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -77.03 -22.81 52.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.206 0.527 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 4.7 pt -55.32 -46.53 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 119.277 -0.969 . . . . 0.0 108.663 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 1.6 t80 -49.07 -33.21 11.09 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.752 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -85.29 -54.74 4.41 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 109.943 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.59 -41.9 32.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 110.305 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 87.7 mt -72.93 -53.66 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.186 -0.946 . . . . 0.0 110.284 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 t -50.8 -43.94 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.994 -1.066 . . . . 0.0 109.825 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -57.57 -70.9 0.11 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.481 -0.762 . . . . 0.0 110.724 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -40.97 -39.65 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.267 -0.896 . . . . 0.0 110.6 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -74.55 -39.23 62.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.097 -1.002 . . . . 0.0 109.86 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' ARG . 11.2 tppt? -71.81 -51.35 22.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.875 . . . . 0.0 109.889 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -57.41 -60.06 4.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.556 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -46.16 -44.64 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.131 -0.98 . . . . 0.0 108.473 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.8 t60 -72.09 -24.23 61.46 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.367 -0.833 . . . . 0.0 108.893 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 7.2 ttt180 -79.92 -45.99 17.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 108.783 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.25 74.82 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.407 -0.808 . . . . 0.0 108.86 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 t -63.97 -27.41 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.6 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -76.11 -44.57 37.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.555 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.2 m170 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.237 0.541 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 2.9 mt -43.59 -64.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -47.66 -21.14 0.33 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -59.2 2.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.073 . . . . 0.0 110.897 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.607 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.86 -28.93 66.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.43 -0.794 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -80.49 -42.73 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.004 -1.06 . . . . 0.0 110.624 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 42.6 t -64.56 -50.93 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.235 -0.915 . . . . 0.0 110.568 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -54.63 42.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.583 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 8' ' ' ALA . 8.1 p -52.9 -43.65 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.045 -1.034 . . . . 0.0 110.214 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.593 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.45 -67.78 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ARG . 14.4 tppt? -45.54 -68.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.618 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.7 m -41.45 -64.56 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.368 -0.832 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -46.26 -45.56 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.134 -0.979 . . . . 0.0 108.414 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -26.44 66.81 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 15' ' ' THR . 11.1 tpt180 -80.51 -43.66 20.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 109.057 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.3 tm? -73.96 -32.54 63.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.12 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -74.69 -30.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.512 -0.743 . . . . 0.0 109.822 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -77.04 -25.11 52.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.042 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.481 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.437 0.637 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 9' ' ' ILE . 2.6 mt -43.14 -52.69 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 10' ' ' VAL . 58.5 t80 -49.17 -32.85 11.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.432 -0.793 . . . . 0.0 110.355 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 30.0 mtp180 -85.32 -47.2 10.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.93 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.1 86.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.896 . . . . 0.0 110.488 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 5' ' ' ILE . 4.9 tt -72.78 -44.53 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.282 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' N ' HG23 ' A' ' 9' ' ' ILE . 8.4 p -73.36 -11.56 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.134 -0.979 . . . . 0.0 110.107 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -80.24 -59.96 2.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.36 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.2 p -54.34 -43.59 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 0.0 110.47 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -69.42 -69.76 0.32 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.673 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 tppt? -45.08 -53.93 7.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.225 -0.922 . . . . 0.0 110.691 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ARG . 89.3 m -49.55 -70.69 0.08 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.216 -0.928 . . . . 0.0 111.228 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 12' ' ' VAL . 46.7 mt -45.63 -52.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.102 -0.999 . . . . 0.0 108.995 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -61.28 -24.32 66.31 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.481 -0.887 . . . . 0.0 108.633 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.62 -47.43 14.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.407 -0.808 . . . . 0.0 109.158 178.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.02 -31.1 65.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.338 -0.851 . . . . 0.0 109.203 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.84 -29.21 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.95 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -79.9 -26.24 40.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.27 -0.894 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.529 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.623 ' CD2' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.411 0.624 . . . . 0.0 110.205 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 9' ' ' ILE . 2.3 mp -49.03 -53.95 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.387 -0.821 . . . . 0.0 110.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -61.45 -12.34 14.29 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.388 -0.82 . . . . 0.0 110.231 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.623 ' NH1' ' CD2' ' A' ' 4' ' ' HIS . 4.1 mtm180 -85.21 -84.03 0.16 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -0.938 . . . . 0.0 110.662 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -39.99 -30.95 0.1 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.896 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 5' ' ' ILE . 1.3 mp -80.19 -39.53 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.048 -1.033 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 29.9 t -77.25 -48.43 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 0.0 110.213 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.0 m-70 -57.75 -44.77 86.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 13' ' ' ALA . 8.0 p -61.95 -43.91 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.962 . . . . 0.0 110.392 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.59 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -75.24 -62.95 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 0.0 110.526 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -43.4 -62.39 1.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -54.46 -53.52 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.905 . . . . 0.0 110.415 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -44.46 -63.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' N ' HG22 ' A' ' 16' ' ' ILE . 51.6 t-80 -53.44 -23.16 9.23 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.449 -0.901 . . . . 0.0 108.729 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.42 -48.66 12.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.316 -0.865 . . . . 0.0 108.908 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 19' ' ' LEU . 8.9 tt -69.85 -33.99 73.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.365 -0.834 . . . . 0.0 108.9 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.68 -31.85 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.476 -0.765 . . . . 0.0 109.598 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -80.05 -28.03 39.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 110.13 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.076 0.465 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -68.57 -32.35 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.1 -1.0 . . . . 0.0 108.86 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' ILE . 40.2 m-85 -72.65 -26.51 61.67 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.002 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.56 -48.22 9.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.0 110.002 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -55.87 -54.1 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.365 -0.834 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 85.9 mt -57.64 -49.26 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.12 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.38 -43.85 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.9 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -60.72 -67.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.875 . . . . 0.0 110.509 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 16' ' ' ILE . 6.0 p -43.44 -41.76 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 0.0 110.159 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.12 -62.25 1.67 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.236 -0.915 . . . . 0.0 110.074 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -54.46 -54.9 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.0 110.003 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.0 m -49.57 -63.19 1.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 12' ' ' VAL . 89.1 mt -46.23 -51.17 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.069 -1.02 . . . . 0.0 108.409 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -61.7 -25.89 67.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.24 -46.36 16.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.356 -0.84 . . . . 0.0 108.99 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' THR . 25.7 mt -70.4 -32.86 70.68 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.43 -0.794 . . . . 0.0 108.982 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.5 t -65.96 -30.54 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.718 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -80.21 -30.73 38.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.382 -0.824 . . . . 0.0 110.014 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.576 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.447 0.641 . . . . 0.0 110.116 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 4' ' ' HIS . 2.6 mp -40.78 -47.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.009 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.8 t80 -64.22 -36.75 85.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 0.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 4' ' ' HIS . 6.0 ptm180 -84.86 -21.1 29.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.028 -1.045 . . . . 0.0 110.078 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -80.22 -44.11 20.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 110.012 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 pp -76.21 -32.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 21.6 t -66.45 -48.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.996 . . . . 0.0 110.082 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.7 m-70 -61.21 -62.01 2.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.184 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' ALA . 3.2 p -42.84 -36.16 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 0.0 110.24 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 16' ' ' ILE . . . -79.56 -46.63 16.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.0 110.377 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 7.8 tppt? -64.15 -39.86 94.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 110.399 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.7 m -66.71 -60.92 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.734 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.016 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.8 pt -48.19 -45.5 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.948 -1.095 . . . . 0.0 108.086 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.507 ' N ' HG13 ' A' ' 16' ' ' ILE . 3.1 t60 -58.81 -28.36 65.93 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' THR . 4.3 ttm-85 -80.81 -35.07 33.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.817 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.82 -41.99 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 16' ' ' ILE . 2.4 m -71.76 -42.04 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.355 -0.841 . . . . 0.0 109.075 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 72.5 m -72.64 -21.14 61.14 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.224 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.548 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 7' ' ' ARG . 15.0 m-70 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.307 0.575 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.6 pt -46.65 -45.53 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.208 -0.932 . . . . 0.0 109.156 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -56.55 -29.5 62.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.626 -0.671 . . . . 0.0 110.016 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -82.18 -56.9 3.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 0.0 110.052 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.72 -44.06 3.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.328 -0.858 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.7 mt -80.14 -42.86 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.923 . . . . 0.0 110.499 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 6' ' ' PHE . 18.7 t -68.11 -45.68 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.278 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' HB ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -64.02 -53.77 44.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.254 -0.904 . . . . 0.0 110.87 -179.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 p -50.73 -45.57 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 110.737 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -74.03 -59.93 2.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.693 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 30.4 ttpt -56.49 -48.26 77.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.181 -0.949 . . . . 0.0 110.685 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ARG . 88.6 m -61.16 -70.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 0.0 110.906 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 89.7 mt -45.01 -52.89 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.0 108.606 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 20.2 t-80 -62.12 -25.24 67.62 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.983 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' THR . 61.0 ttt-85 -80.37 -46.61 15.76 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.179 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -30.98 63.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.435 -0.79 . . . . 0.0 109.52 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.7 t -78.5 -29.04 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.929 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 16.1 m -80.15 -24.96 40.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.05 -1.417 . . . . 0.0 109.588 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.3 m-70 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.336 0.589 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 9' ' ' ILE . 2.4 mp -43.98 -51.48 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.046 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.49 -25.98 52.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.515 -0.741 . . . . 0.0 110.239 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -83.33 -65.67 0.98 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.933 . . . . 0.0 110.29 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.5 -49.83 5.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.26 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.548 ' CD1' HG22 ' A' ' 5' ' ' ILE . 72.0 mt -61.96 -50.35 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.2 t -54.86 -55.03 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.15 -0.969 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' VAL . 32.9 m170 -42.71 -46.41 5.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.4 t -54.52 -73.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.232 -0.918 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -57.83 -19.59 29.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 14.8 tppt? -80.31 -53.18 6.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 110.436 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.867 HG22 HD13 ' A' ' 19' ' ' LEU . 1.1 m -72.39 -59.48 2.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 20' ' ' VAL . 9.8 mm -46.08 -38.56 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.153 -0.967 . . . . 0.0 108.561 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 48.2 t-80 -74.48 -27.72 60.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.6 -42.39 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.289 -0.882 . . . . 0.0 108.997 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 15' ' ' THR . 1.6 mp -72.77 -34.52 67.02 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.219 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 16' ' ' ILE . 20.2 t -70.18 -30.14 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.859 . . . . 0.0 109.877 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.4 m -80.07 -22.34 42.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.048 -1.418 . . . . 0.0 109.581 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' ARG . 4.8 m-70 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.378 0.608 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 9' ' ' ILE . 2.7 mp -43.3 -54.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.987 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 10' ' ' VAL . 19.4 m-85 -54.15 -24.77 19.19 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.529 -0.732 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' HIS . 13.2 mtp180 -81.99 -59.24 2.64 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.161 -0.962 . . . . 0.0 110.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -64.69 -30.6 71.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.276 -0.89 . . . . 0.0 110.48 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -74.71 -42.13 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 0.0 110.245 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' PHE . 7.4 t -59.18 -43.14 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.1 -1.0 . . . . 0.0 110.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -61.32 -67.4 0.41 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 110.517 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 13' ' ' ALA . 2.8 p -41.63 -45.85 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.295 -0.878 . . . . 0.0 110.587 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.45 -42.91 42.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 18' ' ' ARG . 15.4 ttmm -59.32 -44.06 92.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 8.7 m -65.83 -65.98 0.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.915 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 17' ' ' HIS . 2.4 pp -46.86 -40.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.046 -1.034 . . . . 0.0 108.579 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 16' ' ' ILE . 49.9 t-80 -74.21 -26.02 60.02 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.9 tpt180 -72.82 -61.04 1.95 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -40.24 79.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.726 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 16' ' ' ILE . 37.4 t -66.68 -31.98 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 28.2 m -80.17 -22.33 42.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.351 -0.843 . . . . 0.0 110.063 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.012 -1.438 . . . . 0.0 109.544 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.251 0.548 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.757 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.6 pt -62.25 -45.2 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 0.0 109.187 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.584 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.03 -20.93 65.03 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.864 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.33 -72.96 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.0 110.231 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 1.05 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -41.88 -62.94 0.81 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -45.25 -44.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.153 -0.967 . . . . 0.0 110.071 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.598 ' N ' HG23 ' A' ' 9' ' ' ILE . 24.8 t -68.29 -48.3 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 109.88 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -56.57 -16.61 6.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.8 t -79.08 -72.79 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -56.83 -56.48 20.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.452 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -45.7 -66.39 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 110.51 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.923 HG22 HD12 ' A' ' 19' ' ' LEU . 3.0 m -57.53 -60.9 2.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.23 -0.918 . . . . 0.0 110.477 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' C ' ' A' ' 12' ' ' VAL . 69.9 mt -45.7 -44.64 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.136 -0.978 . . . . 0.0 108.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 37.8 t60 -70.82 -25.87 63.05 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.95 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' HG22 ' A' ' 21' ' ' THR . 3.6 ttt180 -80.41 -40.35 26.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.375 -0.828 . . . . 0.0 109.19 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.923 HD12 HG22 ' A' ' 15' ' ' THR . 4.2 mt -76.4 -35.2 58.71 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.473 -0.767 . . . . 0.0 108.976 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 11.8 t -69.54 -31.18 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.87 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 18' ' ' ARG . 14.8 t -80.11 -24.02 40.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.139 -0.976 . . . . 0.0 110.231 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.567 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.355 0.598 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.738 HD13 HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -43.33 -44.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -61.3 -29.61 69.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.388 -0.82 . . . . 0.0 110.547 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' HIS . 18.7 mtp180 -81.58 -53.95 5.83 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.153 -0.967 . . . . 0.0 110.201 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -49.86 -37.18 29.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.541 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.738 HD12 HD13 ' A' ' 5' ' ' ILE . 58.6 mt -79.73 -54.56 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.272 -0.893 . . . . 0.0 110.586 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.6 t -47.45 -46.75 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.974 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.9 m-70 -59.2 -70.09 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.605 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.837 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.0 p -42.94 -36.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.152 -0.968 . . . . 0.0 110.162 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 110.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.6 ttpt -50.11 -44.44 52.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.219 -0.926 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -60.08 -63.18 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.29 -0.881 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 12' ' ' VAL . 35.8 mt -46.64 -42.98 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.045 -1.035 . . . . 0.0 108.322 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -68.81 -27.41 65.84 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.634 ' O ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -80.81 -43.92 19.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 108.879 178.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.06 -31.72 66.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.534 -0.729 . . . . 0.0 109.115 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.8 t -71.81 -35.64 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.788 . . . . 0.0 109.972 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 18' ' ' ARG . 6.5 t -80.35 -18.67 48.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.186 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.377 0.608 . . . . 0.0 110.56 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 6.1 pt -59.49 -44.77 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.029 -1.044 . . . . 0.0 108.945 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.572 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.93 -25.77 64.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.756 -0.59 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 2.4 ptm85 -85.52 -43.29 13.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 110.325 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -58.61 -43.18 89.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 0.0 110.578 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' C ' HG12 ' A' ' 12' ' ' VAL . 13.7 pt -78.58 -35.32 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.124 -0.985 . . . . 0.0 110.418 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 18.9 t -72.42 -46.16 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.973 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.5 m-70 -67.71 -52.57 36.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.07 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.7 p -44.06 -45.68 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.083 -1.01 . . . . 0.0 110.276 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.586 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.16 -57.06 3.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.146 -0.971 . . . . 0.0 110.155 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -54.44 -52.64 61.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.332 -0.855 . . . . 0.0 110.674 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.2 m -52.37 -66.01 0.46 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 110.869 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.07 HD12 ' O ' ' A' ' 12' ' ' VAL . 7.2 mt -45.43 -49.7 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.129 -0.982 . . . . 0.0 108.655 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -24.53 67.09 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.984 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' THR . 36.5 ttt180 -80.3 -47.87 13.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 108.89 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 15' ' ' THR . 66.5 mt -70.58 -33.6 71.26 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.27 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 14.4 t -70.84 -27.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.3 -0.875 . . . . 0.0 109.749 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -79.76 -28.35 40.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 110.201 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.3 m-70 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.393 0.616 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 8.3 pt -44.82 -45.23 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.824 . . . . 0.0 109.501 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -52.59 -33.81 47.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.568 -0.708 . . . . 0.0 110.272 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.08 -63.77 1.28 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.73 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -43.08 -57.24 2.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.537 -0.727 . . . . 0.0 109.978 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.5 -68.33 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -47.38 -51.01 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 15' ' ' THR . 6.1 m-70 -49.36 -31.55 9.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 110.45 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.3 t -73.08 -73.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.175 -0.953 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -53.15 -22.12 5.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -0.761 . . . . 0.0 110.461 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 2.0 tppt? -80.29 -63.04 1.5 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.532 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.2 m -60.65 -57.57 12.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 110.636 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 HG12 ' A' ' 12' ' ' VAL . 75.2 mt -44.9 -48.58 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.049 -1.032 . . . . 0.0 108.942 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 17.9 t60 -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.909 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 5.1 ttp180 -80.25 -45.54 17.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.34 -0.85 . . . . 0.0 108.959 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.41 -36.68 66.02 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.418 -0.801 . . . . 0.0 108.963 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 39.4 t -70.54 -30.57 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.761 . . . . 0.0 109.79 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 15.9 m -79.6 -25.09 41.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.858 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.28 0.562 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.95 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -65.6 -30.96 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.206 -0.934 . . . . 0.0 108.645 179.618 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -68.99 -30.6 69.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.996 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 8' ' ' ALA . 13.5 mtm105 -85.42 -63.94 1.24 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.35 -40.85 1.81 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.383 -0.823 . . . . 0.0 110.587 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 5' ' ' ILE . 47.4 mt -79.95 -43.44 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.415 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.2 t -68.56 -47.28 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.155 -0.966 . . . . 0.0 110.243 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -58.29 -54.01 51.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.243 -0.911 . . . . 0.0 110.667 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.5 p -54.44 -42.73 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 0.0 110.603 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.27 -44.57 19.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.122 -0.986 . . . . 0.0 110.644 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 tppt? -70.81 -49.85 41.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.663 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.7 m -57.05 -67.21 0.34 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.211 -0.931 . . . . 0.0 110.587 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 12' ' ' VAL . 94.9 mt -46.92 -48.08 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.153 -0.967 . . . . 0.0 108.675 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 47.2 t-80 -65.59 -22.9 66.72 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.544 -0.862 . . . . 0.0 108.811 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.47 -49.26 11.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.082 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -71.66 -31.28 66.65 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.261 -0.899 . . . . 0.0 109.028 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' N ' HD12 ' A' ' 19' ' ' LEU . 30.2 t -72.99 -31.94 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.696 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -72.5 -29.03 63.26 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.317 -0.864 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.531 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.277 0.56 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.713 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -63.89 -33.19 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.273 -0.892 . . . . 0.0 108.981 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -71.85 -21.6 61.65 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.385 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 10' ' ' VAL . 23.6 mtp180 -85.55 -68.76 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.181 -0.949 . . . . 0.0 110.498 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -50.85 -38.18 47.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.258 -0.901 . . . . 0.0 110.689 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 5' ' ' ILE . 27.9 mt -70.0 -72.77 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -0.945 . . . . 0.0 110.664 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 11' ' ' HIS . 8.2 p -41.94 -43.35 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 110.41 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.576 ' N ' HG13 ' A' ' 10' ' ' VAL . 2.0 m-70 -53.38 -44.52 68.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.139 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.4 t -61.75 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.11 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -49.4 -25.16 2.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.418 -0.801 . . . . 0.0 110.294 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -80.12 -56.64 4.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.73 -56.39 6.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.9 . . . . 0.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 12' ' ' VAL . 1.7 mp -46.32 -44.0 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 0.0 108.477 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 6.8 t60 -70.19 -25.18 63.31 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.29 -44.53 19.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.374 -0.829 . . . . 0.0 108.926 178.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -34.46 66.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.478 -0.764 . . . . 0.0 109.125 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 16' ' ' ILE . 24.2 t -70.17 -29.14 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.799 . . . . 0.0 109.834 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -77.6 -28.16 51.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.538 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.3 m170 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.031 0.444 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -67.66 -32.01 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 108.665 179.599 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -69.47 -27.02 64.87 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.14 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 13.2 mtp180 -85.31 -49.78 7.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.48 84.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.948 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -79.71 -33.14 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.047 -1.033 . . . . 0.0 110.805 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.3 t -76.24 -55.08 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.1 m-70 -48.24 -48.88 34.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.7 p -58.75 -43.12 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.147 -0.971 . . . . 0.0 110.336 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -79.88 -25.48 40.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.74 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.15 -42.98 22.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.077 -1.015 . . . . 0.0 110.192 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -71.76 -56.65 5.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 110.424 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -45.72 -44.43 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 108.38 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -70.03 -26.28 63.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.762 -0.775 . . . . 0.0 108.972 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.38 -41.05 25.37 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.27 -0.894 . . . . 0.0 108.86 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.838 HD13 ' O ' ' A' ' 19' ' ' LEU . 2.8 tm? -74.59 -36.55 63.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.473 -0.767 . . . . 0.0 109.008 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 10.9 t -68.74 -28.37 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.654 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -79.9 -25.07 40.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.585 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.622 ' O ' HD12 ' A' ' 5' ' ' ILE . 28.9 t80 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.203 0.525 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -46.03 -26.17 0.68 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.291 -0.881 . . . . 0.0 110.125 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.498 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -69.92 -49.8 48.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.297 -0.877 . . . . 0.0 110.162 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 7' ' ' ARG . 66.8 m170 -49.26 -60.23 3.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.369 -0.832 . . . . 0.0 110.224 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.5 mp -42.6 -53.69 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 109.949 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.9 t80 -53.51 -29.88 38.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.917 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -77.71 -55.41 5.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.311 -0.868 . . . . 0.0 109.969 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -56.53 -45.12 81.31 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.0 110.023 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 5' ' ' ILE . 34.7 mt -51.29 -71.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.0 110.073 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 6' ' ' PHE . 5.5 p -47.32 -36.52 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 0.0 109.958 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -58.79 -42.62 89.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.978 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' ALA . 13.9 t -56.39 -71.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.863 . . . . 0.0 109.755 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.14 -50.82 27.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 0.0 110.007 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -49.27 -66.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.936 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 19' ' ' LEU . 2.6 m -53.09 -51.11 62.9 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 110.026 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -45.0 -62.75 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -54.92 -22.53 15.25 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 119.518 -0.873 . . . . 0.0 108.822 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' THR . 2.3 ttp85 -80.0 -50.06 10.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.854 . . . . 0.0 109.029 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.609 HD12 HG22 ' A' ' 15' ' ' THR . 6.5 mt -71.02 -32.17 68.87 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.367 -0.833 . . . . 0.0 109.09 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -75.86 -32.79 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.556 -0.715 . . . . 0.0 109.798 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 19.3 m -80.41 -29.58 37.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.368 -0.832 . . . . 0.0 110.138 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.551 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.251 0.548 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' HA ' ' CG2' ' A' ' 5' ' ' ILE . 9.4 m-85 -64.37 -18.39 64.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -72.89 -43.51 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.266 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 6.1 m170 -75.18 -56.62 4.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.371 -0.831 . . . . 0.0 110.068 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.87 -44.57 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.398 -0.814 . . . . 0.0 110.63 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -66.06 -38.6 88.74 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 110.739 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 6.1 ptm180 -85.06 -32.29 22.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.094 -1.004 . . . . 0.0 110.466 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.88 -30.3 40.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.848 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.14 -41.02 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.194 -0.942 . . . . 0.0 110.356 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . 10.1 p -67.61 -18.19 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 0.0 110.253 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.96 -62.34 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.0 110.128 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.686 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.6 p -44.57 -45.58 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.284 -0.885 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -70.97 -61.55 1.72 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 110.222 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.4 tppt? -45.43 -52.56 9.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 0.0 110.17 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -55.34 -60.15 3.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 110.331 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 12' ' ' VAL . 55.2 mt -46.38 -44.23 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.014 -1.054 . . . . 0.0 108.576 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.28 -45.52 17.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.357 -0.84 . . . . 0.0 108.858 178.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -71.43 -35.37 70.91 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.444 -0.785 . . . . 0.0 108.912 178.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' ILE . 19.0 t -65.91 -27.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.508 -0.745 . . . . 0.0 109.752 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -80.05 -32.68 39.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.241 -0.912 . . . . 0.0 110.089 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.443 ' O ' HD12 ' A' ' 5' ' ' ILE . 62.9 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.447 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -49.98 -38.48 37.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.7 m-70 -62.39 -48.7 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.287 -0.883 . . . . 0.0 110.08 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.31 -62.9 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.379 -0.826 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 2' ' ' PHE . 2.9 mt -42.91 -64.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.0 110.199 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -45.46 -27.62 0.75 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.323 -0.86 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -78.14 -64.11 1.24 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -0.893 . . . . 0.0 110.307 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 1.019 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.39 -63.29 0.79 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.307 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 9' ' ' ILE . 1.8 mp -45.27 -75.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.942 . . . . 0.0 110.136 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 9' ' ' ILE . 71.1 t -42.66 -57.1 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 0.0 110.312 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.1 m-70 -42.93 -51.57 5.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.0 110.167 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 8' ' ' ALA . 12.7 t -55.22 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.993 . . . . 0.0 110.195 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -40.68 -37.66 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.551 -0.718 . . . . 0.0 110.569 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -80.11 -59.78 2.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.202 -0.936 . . . . 0.0 110.632 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.56 ' HA ' ' HB3' ' A' ' 18' ' ' ARG . 2.1 m -60.1 -58.89 6.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.239 -0.913 . . . . 0.0 110.785 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 12' ' ' VAL . 9.3 mm -44.69 -43.9 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.101 -1.0 . . . . 0.0 109.021 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 7.1 m-70 -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.152 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' A' ' 15' ' ' THR . 6.1 ttp180 -80.18 -43.74 21.03 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.205 -0.934 . . . . 0.0 108.73 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -41.24 70.38 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.552 -0.717 . . . . 0.0 109.111 178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 19.8 t -66.19 -28.55 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.858 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 29.5 m -80.0 -30.89 39.7 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.166 -0.959 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.005 -1.442 . . . . 0.0 109.618 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.156 0.503 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -83.2 -17.63 42.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -74.84 -61.54 1.85 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 110.194 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.506 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 19.9 m170 -61.86 -49.83 74.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.546 -0.721 . . . . 0.0 110.498 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.644 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.8 -47.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.219 -0.925 . . . . 0.0 110.256 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -60.15 -25.6 65.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.349 -0.845 . . . . 0.0 109.981 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.596 ' HB3' ' CE1' ' A' ' 11' ' ' HIS . 2.9 mtp-105 -85.59 -51.21 6.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.298 -0.876 . . . . 0.0 109.749 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -47.87 -55.53 9.59 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.583 -0.698 . . . . 0.0 110.322 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 10' ' ' VAL . 13.5 pt -65.73 -43.93 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.186 -0.946 . . . . 0.0 110.206 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.5 t -62.93 -51.02 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 110.085 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 7' ' ' ARG . 38.4 m170 -44.1 -47.69 8.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.7 t -58.46 -75.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 110.306 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -41.95 -31.24 0.32 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.369 -0.832 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 16.1 ttmt -79.25 -60.86 2.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.473 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.76 -58.78 3.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.236 -0.915 . . . . 0.0 110.891 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -45.23 -43.5 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.172 -0.955 . . . . 0.0 108.649 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -72.1 -25.62 61.82 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.686 -0.805 . . . . 0.0 108.984 178.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.64 -44.07 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.255 -0.903 . . . . 0.0 109.05 178.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -34.96 67.35 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.518 -0.738 . . . . 0.0 109.19 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ILE . 40.3 t -72.06 -30.83 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 0.0 109.938 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -77.03 -22.81 52.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.293 0.568 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' O ' HG12 ' A' ' 5' ' ' ILE . 50.3 m-85 -62.76 -74.67 0.09 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.529 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 9.3 p-80 -40.24 -28.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.417 -0.802 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.529 ' N ' ' CD2' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -63.0 -45.43 92.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.315 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 4.7 pt -55.32 -46.53 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 C-N-CA 119.277 -0.969 . . . . 0.0 108.663 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 1.6 t80 -49.07 -33.21 11.09 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.752 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 38.2 mtp180 -85.29 -54.74 4.41 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 109.943 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.59 -41.9 32.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 110.305 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 87.7 mt -72.93 -53.66 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.186 -0.946 . . . . 0.0 110.284 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 t -50.8 -43.94 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.994 -1.066 . . . . 0.0 109.825 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -57.57 -70.9 0.11 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.481 -0.762 . . . . 0.0 110.724 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 9' ' ' ILE . 2.6 p -40.97 -39.65 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.267 -0.896 . . . . 0.0 110.6 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -74.55 -39.23 62.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.097 -1.002 . . . . 0.0 109.86 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 18' ' ' ARG . 11.2 tppt? -71.81 -51.35 22.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.875 . . . . 0.0 109.889 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.8 m -57.41 -60.06 4.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.892 . . . . 0.0 110.177 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.556 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mp -46.16 -44.64 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.131 -0.98 . . . . 0.0 108.473 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 4.8 t60 -72.09 -24.23 61.46 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.367 -0.833 . . . . 0.0 108.893 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 7.2 ttt180 -79.92 -45.99 17.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 108.783 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -38.25 74.82 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.407 -0.808 . . . . 0.0 108.86 178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 t -63.97 -27.41 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.6 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.6 m -76.11 -44.57 37.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.555 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.917 ' O ' HD12 ' A' ' 5' ' ' ILE . 85.8 m-85 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.318 0.58 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 2.8 m-30 -46.62 -33.04 3.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.915 . . . . 0.0 110.193 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -52.56 -72.26 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' HIS . 12.2 m170 -40.68 -63.86 0.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.532 -0.73 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.917 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.9 mt -43.59 -64.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -47.66 -21.14 0.33 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.456 -0.778 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -85.12 -59.2 2.4 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.982 -1.073 . . . . 0.0 110.897 -179.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.607 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.86 -28.93 66.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.43 -0.794 . . . . 0.0 111.466 -178.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -80.49 -42.73 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.004 -1.06 . . . . 0.0 110.624 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 42.6 t -64.56 -50.93 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.235 -0.915 . . . . 0.0 110.568 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -54.63 42.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.222 -0.924 . . . . 0.0 110.583 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 8' ' ' ALA . 8.1 p -52.9 -43.65 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.045 -1.034 . . . . 0.0 110.214 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.593 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -65.45 -67.78 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' ARG . 14.4 tppt? -45.54 -68.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.245 -0.909 . . . . 0.0 110.618 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.7 m -41.45 -64.56 0.54 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.368 -0.832 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -46.26 -45.56 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.134 -0.979 . . . . 0.0 108.414 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -26.44 66.81 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 15' ' ' THR . 11.1 tpt180 -80.51 -43.66 20.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 109.057 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.3 tm? -73.96 -32.54 63.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.12 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 36.7 t -74.69 -30.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.512 -0.743 . . . . 0.0 109.822 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 m -77.04 -25.11 52.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.35 -0.844 . . . . 0.0 110.042 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.481 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.238 0.542 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -49.53 -39.51 34.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 110.073 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.485 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 17.9 p80 -62.31 -46.51 88.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.325 -0.86 . . . . 0.0 110.045 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.8 OUTLIER -44.23 -61.89 1.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 9' ' ' ILE . 2.6 mt -43.14 -52.69 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.382 -0.824 . . . . 0.0 110.125 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 10' ' ' VAL . 58.5 t80 -49.17 -32.85 11.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.432 -0.793 . . . . 0.0 110.355 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' HA ' ' CG1' ' A' ' 10' ' ' VAL . 30.0 mtp180 -85.32 -47.2 10.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.213 -0.93 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.1 86.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.896 . . . . 0.0 110.488 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 5' ' ' ILE . 4.9 tt -72.78 -44.53 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.127 -0.983 . . . . 0.0 110.282 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' N ' HG23 ' A' ' 9' ' ' ILE . 8.4 p -73.36 -11.56 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.134 -0.979 . . . . 0.0 110.107 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -80.24 -59.96 2.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.36 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.2 p -54.34 -43.59 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 0.0 110.47 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -69.42 -69.76 0.32 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.673 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 tppt? -45.08 -53.93 7.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.225 -0.922 . . . . 0.0 110.691 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 18' ' ' ARG . 89.3 m -49.55 -70.69 0.08 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.216 -0.928 . . . . 0.0 111.228 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 12' ' ' VAL . 46.7 mt -45.63 -52.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.102 -0.999 . . . . 0.0 108.995 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -61.28 -24.32 66.31 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.481 -0.887 . . . . 0.0 108.633 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.62 -47.43 14.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.407 -0.808 . . . . 0.0 109.158 178.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.02 -31.1 65.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.338 -0.851 . . . . 0.0 109.203 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.84 -29.21 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.95 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -79.9 -26.24 40.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.27 -0.894 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.529 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.725 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.321 0.581 . . . . 0.0 110.187 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 6' ' ' PHE . 15.3 t80 -46.23 -47.47 17.94 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.297 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 60.6 t60 -54.71 -46.47 74.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.172 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.623 ' CD2' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -49.61 -67.8 0.23 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.351 -0.843 . . . . 0.0 110.205 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.769 ' O ' HD13 ' A' ' 9' ' ' ILE . 2.3 mp -49.03 -53.95 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.387 -0.821 . . . . 0.0 110.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -61.45 -12.34 14.29 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.388 -0.82 . . . . 0.0 110.231 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.623 ' NH1' ' CD2' ' A' ' 4' ' ' HIS . 4.1 mtm180 -85.21 -84.03 0.16 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -0.938 . . . . 0.0 110.662 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -39.99 -30.95 0.1 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.896 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 5' ' ' ILE . 1.3 mp -80.19 -39.53 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.048 -1.033 . . . . 0.0 110.305 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 29.9 t -77.25 -48.43 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 0.0 110.213 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.0 m-70 -57.75 -44.77 86.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 13' ' ' ALA . 8.0 p -61.95 -43.91 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.962 . . . . 0.0 110.392 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.59 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -75.24 -62.95 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.283 -0.886 . . . . 0.0 110.526 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -43.4 -62.39 1.08 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -54.46 -53.52 53.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -0.905 . . . . 0.0 110.415 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 17' ' ' HIS . 1.4 mm -44.46 -63.78 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' N ' HG22 ' A' ' 16' ' ' ILE . 51.6 t-80 -53.44 -23.16 9.23 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.449 -0.901 . . . . 0.0 108.729 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.42 -48.66 12.54 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.316 -0.865 . . . . 0.0 108.908 178.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 19' ' ' LEU . 8.9 tt -69.85 -33.99 73.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.365 -0.834 . . . . 0.0 108.9 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.68 -31.85 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.476 -0.765 . . . . 0.0 109.598 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -80.05 -28.03 39.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 110.13 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' HB2' ' CE1' ' A' ' 3' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.216 0.531 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -51.94 -63.52 1.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.186 -0.946 . . . . 0.0 110.358 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 1' ' ' PHE . 7.3 p80 -45.52 -27.39 0.73 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.326 -0.859 . . . . 0.0 110.395 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.5 OUTLIER -76.35 -27.4 56.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.216 -0.927 . . . . 0.0 110.6 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -68.57 -32.35 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.1 -1.0 . . . . 0.0 108.86 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.44 ' N ' HG13 ' A' ' 5' ' ' ILE . 40.2 m-85 -72.65 -26.51 61.67 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.002 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -84.56 -48.22 9.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.0 110.002 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -55.87 -54.1 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.365 -0.834 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 12' ' ' VAL . 85.9 mt -57.64 -49.26 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.12 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.38 -43.85 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.0 109.9 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -60.72 -67.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.299 -0.875 . . . . 0.0 110.509 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 16' ' ' ILE . 6.0 p -43.44 -41.76 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.244 -0.91 . . . . 0.0 110.159 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.12 -62.25 1.67 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.236 -0.915 . . . . 0.0 110.074 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -54.46 -54.9 34.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.0 110.003 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.0 m -49.57 -63.19 1.18 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.525 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 12' ' ' VAL . 89.1 mt -46.23 -51.17 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.069 -1.02 . . . . 0.0 108.409 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -61.7 -25.89 67.7 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.24 -46.36 16.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.356 -0.84 . . . . 0.0 108.99 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' THR . 25.7 mt -70.4 -32.86 70.68 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.43 -0.794 . . . . 0.0 108.982 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.5 t -65.96 -30.54 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.718 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -80.21 -30.73 38.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.382 -0.824 . . . . 0.0 110.014 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.576 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.779 ' O ' HD12 ' A' ' 5' ' ' ILE . 21.7 p90 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.206 0.527 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -62.74 -29.37 70.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.265 -0.897 . . . . 0.0 110.008 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 49.6 m-70 -63.58 -31.77 73.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 0.0 109.961 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.523 ' HA ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -71.63 -69.94 0.35 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.0 110.116 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.6 mp -40.78 -47.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.009 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.8 t80 -64.22 -36.75 85.09 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.576 -0.703 . . . . 0.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 4' ' ' HIS . 6.0 ptm180 -84.86 -21.1 29.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.028 -1.045 . . . . 0.0 110.078 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -80.22 -44.11 20.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 110.012 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 2.6 pp -76.21 -32.27 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.305 -0.872 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 21.6 t -66.45 -48.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.106 -0.996 . . . . 0.0 110.082 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.7 m-70 -61.21 -62.01 2.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.184 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' ALA . 3.2 p -42.84 -36.16 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.295 -0.878 . . . . 0.0 110.24 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.737 ' HA ' HD11 ' A' ' 16' ' ' ILE . . . -79.56 -46.63 16.95 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.243 -0.911 . . . . 0.0 110.377 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 7.8 tppt? -64.15 -39.86 94.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 110.399 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.7 m -66.71 -60.92 2.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.734 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.016 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.8 pt -48.19 -45.5 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 O-C-N 120.948 -1.095 . . . . 0.0 108.086 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.507 ' N ' HG13 ' A' ' 16' ' ' ILE . 3.1 t60 -58.81 -28.36 65.93 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 15' ' ' THR . 4.3 ttm-85 -80.81 -35.07 33.45 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 119.52 -0.872 . . . . 0.0 108.817 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.82 -41.99 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.016 HG13 ' O ' ' A' ' 16' ' ' ILE . 2.4 m -71.76 -42.04 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.355 -0.841 . . . . 0.0 109.075 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 72.5 m -72.64 -21.14 61.14 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.224 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.548 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.285 0.564 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 5' ' ' ILE . 89.8 m-85 -57.2 -21.55 34.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.259 -0.9 . . . . 0.0 110.274 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 86.0 m-70 -74.73 -29.46 61.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.243 -0.911 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 7' ' ' ARG . 15.0 m-70 -73.99 -55.56 5.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.89 . . . . 0.0 110.492 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.779 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.6 pt -46.65 -45.53 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.208 -0.932 . . . . 0.0 109.156 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -56.55 -29.5 62.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.626 -0.671 . . . . 0.0 110.016 179.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -82.18 -56.9 3.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.865 . . . . 0.0 110.052 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.626 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.72 -44.06 3.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.328 -0.858 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 5' ' ' ILE . 4.7 mt -80.14 -42.86 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.923 . . . . 0.0 110.499 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 6' ' ' PHE . 18.7 t -68.11 -45.68 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 110.278 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' HB ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -64.02 -53.77 44.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.254 -0.904 . . . . 0.0 110.87 -179.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 p -50.73 -45.57 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.124 -0.985 . . . . 0.0 110.737 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -74.03 -59.93 2.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.693 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 30.4 ttpt -56.49 -48.26 77.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.181 -0.949 . . . . 0.0 110.685 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ARG . 88.6 m -61.16 -70.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 0.0 110.906 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.493 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 89.7 mt -45.01 -52.89 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.17 -0.956 . . . . 0.0 108.606 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 20.2 t-80 -62.12 -25.24 67.62 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.62 -0.832 . . . . 0.0 108.983 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' THR . 61.0 ttt-85 -80.37 -46.61 15.76 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.179 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -30.98 63.19 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.435 -0.79 . . . . 0.0 109.52 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 30.7 t -78.5 -29.04 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.929 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 17' ' ' HIS . 16.1 m -80.15 -24.96 40.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.05 -1.417 . . . . 0.0 109.588 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.839 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' HIS . 2.2 t80 -45.63 -60.79 2.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.233 -0.917 . . . . 0.0 110.168 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -44.12 -55.25 4.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 110.09 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 1.3 m-70 -41.58 -68.26 0.2 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.498 -0.751 . . . . 0.0 110.201 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.4 mp -43.98 -51.48 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.401 -0.812 . . . . 0.0 110.046 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.49 -25.98 52.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.515 -0.741 . . . . 0.0 110.239 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -83.33 -65.67 0.98 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.933 . . . . 0.0 110.29 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -42.5 -49.83 5.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.26 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.548 ' CD1' HG22 ' A' ' 5' ' ' ILE . 72.0 mt -61.96 -50.35 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.2 t -54.86 -55.03 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.15 -0.969 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' VAL . 32.9 m170 -42.71 -46.41 5.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.919 . . . . 0.0 110.197 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.4 t -54.52 -73.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.232 -0.918 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -57.83 -19.59 29.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.216 -0.928 . . . . 0.0 110.091 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 14.8 tppt? -80.31 -53.18 6.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 110.436 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.867 HG22 HD13 ' A' ' 19' ' ' LEU . 1.1 m -72.39 -59.48 2.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.0 110.539 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 20' ' ' VAL . 9.8 mm -46.08 -38.56 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.153 -0.967 . . . . 0.0 108.561 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 48.2 t-80 -74.48 -27.72 60.69 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' HG2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.6 -42.39 22.3 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.289 -0.882 . . . . 0.0 108.997 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 15' ' ' THR . 1.6 mp -72.77 -34.52 67.02 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.454 -0.779 . . . . 0.0 109.219 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 16' ' ' ILE . 20.2 t -70.18 -30.14 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.859 . . . . 0.0 109.877 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.4 m -80.07 -22.34 42.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.314 -0.866 . . . . 0.0 109.996 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.048 -1.418 . . . . 0.0 109.581 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.89 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.272 0.558 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.553 ' HA ' ' CD1' ' A' ' 5' ' ' ILE . 1.1 m-30 -43.62 -46.51 7.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 110.356 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -60.26 -53.57 56.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.234 -0.916 . . . . 0.0 110.101 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 7' ' ' ARG . 4.8 m-70 -41.2 -59.3 1.55 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.477 -0.764 . . . . 0.0 110.342 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.89 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.7 mp -43.3 -54.58 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.987 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 10' ' ' VAL . 19.4 m-85 -54.15 -24.77 19.19 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.529 -0.732 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.2 mtp180 -81.99 -59.24 2.64 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.161 -0.962 . . . . 0.0 110.132 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -64.69 -30.6 71.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.276 -0.89 . . . . 0.0 110.48 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -74.71 -42.13 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 0.0 110.245 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 6' ' ' PHE . 7.4 t -59.18 -43.14 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.1 -1.0 . . . . 0.0 110.098 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -61.32 -67.4 0.41 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 0.0 110.517 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 13' ' ' ALA . 2.8 p -41.63 -45.85 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.295 -0.878 . . . . 0.0 110.587 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -76.45 -42.91 42.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 110.245 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 18' ' ' ARG . 15.4 ttmm -59.32 -44.06 92.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 18' ' ' ARG . 8.7 m -65.83 -65.98 0.61 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.237 -0.915 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 17' ' ' HIS . 2.4 pp -46.86 -40.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.046 -1.034 . . . . 0.0 108.579 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.698 ' N ' HD12 ' A' ' 16' ' ' ILE . 49.9 t-80 -74.21 -26.02 60.02 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.9 tpt180 -72.82 -61.04 1.95 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.92 -40.24 79.94 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.726 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 16' ' ' ILE . 37.4 t -66.68 -31.98 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.212 -0.93 . . . . 0.0 110.043 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 28.2 m -80.17 -22.33 42.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.351 -0.843 . . . . 0.0 110.063 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.012 -1.438 . . . . 0.0 109.544 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.546 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.232 0.539 . . . . 0.0 110.17 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -43.16 -35.44 1.37 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -0.917 . . . . 0.0 110.232 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-80 -80.31 -24.8 39.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 1' ' ' PHE . 27.3 m170 -80.14 -40.98 26.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 0.0 110.301 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.757 ' O ' HG22 ' A' ' 9' ' ' ILE . 7.6 pt -62.25 -45.2 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 0.0 109.187 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.03 -20.93 65.03 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.864 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.33 -72.96 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.0 110.231 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 1.05 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -41.88 -62.94 0.81 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 0.0 110.437 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 5' ' ' ILE . 3.3 tp -45.25 -44.97 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.153 -0.967 . . . . 0.0 110.071 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.598 ' N ' HG23 ' A' ' 9' ' ' ILE . 24.8 t -68.29 -48.3 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 109.88 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -56.57 -16.61 6.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 110.154 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.8 t -79.08 -72.79 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -56.83 -56.48 20.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.452 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -45.7 -66.39 0.41 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 110.51 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.923 HG22 HD12 ' A' ' 19' ' ' LEU . 3.0 m -57.53 -60.9 2.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.23 -0.918 . . . . 0.0 110.477 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.652 HD12 ' C ' ' A' ' 12' ' ' VAL . 69.9 mt -45.7 -44.64 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.136 -0.978 . . . . 0.0 108.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 37.8 t60 -70.82 -25.87 63.05 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.95 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.705 ' O ' HG22 ' A' ' 21' ' ' THR . 3.6 ttt180 -80.41 -40.35 26.57 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.375 -0.828 . . . . 0.0 109.19 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.923 HD12 HG22 ' A' ' 15' ' ' THR . 4.2 mt -76.4 -35.2 58.71 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.473 -0.767 . . . . 0.0 108.976 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 11.8 t -69.54 -31.18 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.462 -0.774 . . . . 0.0 109.87 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 18' ' ' ARG . 14.8 t -80.11 -24.02 40.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.139 -0.976 . . . . 0.0 110.231 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.567 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 20.3 p90 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.22 0.533 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -59.52 -14.16 11.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.32 -0.862 . . . . 0.0 110.215 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 19.4 m-70 -76.6 -57.57 3.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.227 -0.921 . . . . 0.0 110.006 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -52.62 -57.58 9.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.485 -0.76 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.738 HD13 HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -43.33 -44.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -61.3 -29.61 69.98 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.388 -0.82 . . . . 0.0 110.547 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 18.7 mtp180 -81.58 -53.95 5.83 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.153 -0.967 . . . . 0.0 110.201 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -49.86 -37.18 29.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.294 -0.879 . . . . 0.0 110.541 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.738 HD12 HD13 ' A' ' 5' ' ' ILE . 58.6 mt -79.73 -54.56 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.272 -0.893 . . . . 0.0 110.586 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 6' ' ' PHE . 23.6 t -47.45 -46.75 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.974 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' VAL . 3.9 m-70 -59.2 -70.09 0.17 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.605 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.837 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.0 p -42.94 -36.49 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.152 -0.968 . . . . 0.0 110.162 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.19 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 110.073 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.6 ttpt -50.11 -44.44 52.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.219 -0.926 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -60.08 -63.18 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.29 -0.881 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 12' ' ' VAL . 35.8 mt -46.64 -42.98 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.045 -1.035 . . . . 0.0 108.322 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -68.81 -27.41 65.84 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.634 ' O ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -80.81 -43.92 19.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 108.879 178.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.06 -31.72 66.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.534 -0.729 . . . . 0.0 109.115 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.8 t -71.81 -35.64 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.788 . . . . 0.0 109.972 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 18' ' ' ARG . 6.5 t -80.35 -18.67 48.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.186 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.546 ' O ' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.262 0.553 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 5' ' ' ILE . 24.1 m-85 -68.54 -84.07 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 0.0 110.39 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 9.9 p80 -40.86 -27.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 110.492 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -58.67 -50.46 73.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.201 -0.937 . . . . 0.0 110.56 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 6.1 pt -59.49 -44.77 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.029 -1.044 . . . . 0.0 108.945 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.572 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -68.93 -25.77 64.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.756 -0.59 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 4' ' ' HIS . 2.4 ptm85 -85.52 -43.29 13.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 110.325 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -58.61 -43.18 89.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 0.0 110.578 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' C ' HG12 ' A' ' 12' ' ' VAL . 13.7 pt -78.58 -35.32 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.124 -0.985 . . . . 0.0 110.418 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 18.9 t -72.42 -46.16 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.144 -0.973 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 15' ' ' THR . 5.5 m-70 -67.71 -52.57 36.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.07 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.7 p -44.06 -45.68 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.083 -1.01 . . . . 0.0 110.276 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.586 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.16 -57.06 3.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.146 -0.971 . . . . 0.0 110.155 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -54.44 -52.64 61.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.332 -0.855 . . . . 0.0 110.674 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 18' ' ' ARG . 10.2 m -52.37 -66.01 0.46 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 110.869 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.07 HD12 ' O ' ' A' ' 12' ' ' VAL . 7.2 mt -45.43 -49.7 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.129 -0.982 . . . . 0.0 108.655 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -24.53 67.09 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.984 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' THR . 36.5 ttt180 -80.3 -47.87 13.88 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 108.89 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 15' ' ' THR . 66.5 mt -70.58 -33.6 71.26 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.27 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 14.4 t -70.84 -27.63 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.3 -0.875 . . . . 0.0 109.749 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -79.76 -28.35 40.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 110.201 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 5' ' ' ILE . 56.3 m-85 -66.52 -24.07 66.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 11.7 m-70 -74.29 -32.06 62.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.955 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ILE . 12.3 m-70 -68.87 -60.19 2.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 0.0 110.438 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.575 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 8.3 pt -44.82 -45.23 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.824 . . . . 0.0 109.501 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -52.59 -33.81 47.88 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.568 -0.708 . . . . 0.0 110.272 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.08 -63.77 1.28 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.273 -0.892 . . . . 0.0 109.73 179.741 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -43.08 -57.24 2.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.537 -0.727 . . . . 0.0 109.978 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -50.5 -68.33 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.2 t -47.38 -51.01 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 15' ' ' THR . 6.1 m-70 -49.36 -31.55 9.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 110.45 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 8' ' ' ALA . 10.3 t -73.08 -73.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.175 -0.953 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -53.15 -22.12 5.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.482 -0.761 . . . . 0.0 110.461 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 2.0 tppt? -80.29 -63.04 1.5 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.11 -0.994 . . . . 0.0 110.532 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.2 m -60.65 -57.57 12.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 110.636 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 HG12 ' A' ' 12' ' ' VAL . 75.2 mt -44.9 -48.58 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.049 -1.032 . . . . 0.0 108.942 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 17.9 t60 -70.7 -22.57 62.44 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.534 -0.866 . . . . 0.0 108.909 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 5.1 ttp180 -80.25 -45.54 17.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.34 -0.85 . . . . 0.0 108.959 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.41 -36.68 66.02 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.418 -0.801 . . . . 0.0 108.963 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 39.4 t -70.54 -30.57 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.483 -0.761 . . . . 0.0 109.79 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' GLY . 15.9 m -79.6 -25.09 41.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.858 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.4 t80 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.252 0.549 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.496 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -61.1 -34.95 75.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 110.175 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.487 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.67 -25.95 66.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.279 -0.888 . . . . 0.0 110.101 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -73.62 -33.42 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.883 . . . . 0.0 110.422 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.95 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -65.6 -30.96 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.206 -0.934 . . . . 0.0 108.645 179.618 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -68.99 -30.6 69.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.996 179.663 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.5 mtm105 -85.42 -63.94 1.24 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -41.35 -40.85 1.81 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.383 -0.823 . . . . 0.0 110.587 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 5' ' ' ILE . 47.4 mt -79.95 -43.44 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.415 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.2 t -68.56 -47.28 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.155 -0.966 . . . . 0.0 110.243 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -58.29 -54.01 51.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.243 -0.911 . . . . 0.0 110.667 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.748 ' O ' HD12 ' A' ' 16' ' ' ILE . 7.5 p -54.44 -42.73 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.161 -0.962 . . . . 0.0 110.603 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -80.27 -44.57 19.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.122 -0.986 . . . . 0.0 110.644 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 tppt? -70.81 -49.85 41.93 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.663 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 18' ' ' ARG . 17.7 m -57.05 -67.21 0.34 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.211 -0.931 . . . . 0.0 110.587 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.748 HD12 ' O ' ' A' ' 12' ' ' VAL . 94.9 mt -46.92 -48.08 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.153 -0.967 . . . . 0.0 108.675 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 47.2 t-80 -65.59 -22.9 66.72 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.544 -0.862 . . . . 0.0 108.811 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.47 -49.26 11.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.082 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.729 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.5 pp -71.66 -31.28 66.65 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.261 -0.899 . . . . 0.0 109.028 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' N ' HD12 ' A' ' 19' ' ' LEU . 30.2 t -72.99 -31.94 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.696 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -72.5 -29.03 63.26 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.317 -0.864 . . . . 0.0 110.058 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.531 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 9.5 p90 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.23 0.538 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -54.14 -78.84 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.14 -0.975 . . . . 0.0 110.354 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.495 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 9.8 m-70 -41.45 -46.15 3.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.355 -0.841 . . . . 0.0 110.453 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -41.46 -47.03 3.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.454 -0.778 . . . . 0.0 110.625 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.713 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -63.89 -33.19 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.273 -0.892 . . . . 0.0 108.981 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -71.85 -21.6 61.65 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.385 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 23.6 mtp180 -85.55 -68.76 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.181 -0.949 . . . . 0.0 110.498 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.913 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -50.85 -38.18 47.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.258 -0.901 . . . . 0.0 110.689 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 5' ' ' ILE . 27.9 mt -70.0 -72.77 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -0.945 . . . . 0.0 110.664 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 11' ' ' HIS . 8.2 p -41.94 -43.35 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 110.41 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.576 ' N ' HG13 ' A' ' 10' ' ' VAL . 2.0 m-70 -53.38 -44.52 68.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.139 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 8' ' ' ALA . 11.4 t -61.75 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.0 110.11 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 17' ' ' HIS . . . -49.4 -25.16 2.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.418 -0.801 . . . . 0.0 110.294 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -80.12 -56.64 4.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.2 m -70.73 -56.39 6.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.9 . . . . 0.0 110.499 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 12' ' ' VAL . 1.7 mp -46.32 -44.0 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 0.0 108.477 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 6.8 t60 -70.19 -25.18 63.31 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -80.29 -44.53 19.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.374 -0.829 . . . . 0.0 108.926 178.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -34.46 66.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.478 -0.764 . . . . 0.0 109.125 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 16' ' ' ILE . 24.2 t -70.17 -29.14 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.799 . . . . 0.0 109.834 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -77.6 -28.16 51.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.34 -0.85 . . . . 0.0 110.144 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.538 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.144 0.497 . . . . 0.0 110.186 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.504 ' O ' HG13 ' A' ' 5' ' ' ILE . 24.8 t80 -54.9 -16.99 3.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.277 -0.89 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.509 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 3.8 t60 -76.64 -41.66 44.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.447 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -71.86 -29.93 64.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.903 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.693 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -67.66 -32.01 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.086 -1.009 . . . . 0.0 108.665 179.599 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -69.47 -27.02 64.87 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.14 179.699 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 3' ' ' HIS . 13.2 mtp180 -85.31 -49.78 7.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.48 84.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.576 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.948 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -79.71 -33.14 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.047 -1.033 . . . . 0.0 110.805 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.3 t -76.24 -55.08 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.89 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.1 m-70 -48.24 -48.88 34.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.284 -0.885 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 13' ' ' ALA . 7.7 p -58.75 -43.12 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.147 -0.971 . . . . 0.0 110.336 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.552 ' N ' HG13 ' A' ' 12' ' ' VAL . . . -79.88 -25.48 40.62 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -0.852 . . . . 0.0 110.74 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -80.15 -42.98 22.41 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.077 -1.015 . . . . 0.0 110.192 -179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 18' ' ' ARG . 1.1 m -71.76 -56.65 5.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.182 -0.949 . . . . 0.0 110.424 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.2 mp -45.72 -44.43 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 108.38 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -70.03 -26.28 63.97 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.762 -0.775 . . . . 0.0 108.972 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -80.38 -41.05 25.37 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.27 -0.894 . . . . 0.0 108.86 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.838 HD13 ' O ' ' A' ' 19' ' ' LEU . 2.8 tm? -74.59 -36.55 63.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.473 -0.767 . . . . 0.0 109.008 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 10.9 t -68.74 -28.37 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.482 -0.761 . . . . 0.0 109.654 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -79.9 -25.07 40.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 110.199 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.585 179.955 . . . . . . . . 0 0 . 1 stop_ save_