data_6j9p_residue ############################ # Computer software used # ############################ 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 6j9p _Structure_validation_residue.Date_analyzed 2020-01-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 11.2 mtm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -59.74 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.532 0.682 . . . . 0.0 109.641 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 13.2 pt -68.01 -17.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.532 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.1 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.43 -64.09 1.14 Allowed 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 114.131 -1.395 . . . . 0.0 113.442 -177.197 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.34 -17.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.612 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.5 mp -91.34 -48.97 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 113.618 -1.628 . . . . 0.0 109.04 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.734 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.17 -14.81 19.21 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.149 -1.841 . . . . 0.0 111.429 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.1 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.7 mmm-85 -78.09 -47.71 17.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.797 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -84.3 -24.72 29.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.6 mt -73.87 -41.78 61.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.303 -1.771 . . . . 0.0 109.937 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.838 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.451 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.4 mtm180 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.75 0.31 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.564 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.21 -47.13 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 109.749 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.564 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 16.9 pt -80.66 -16.62 12.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.308 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.16 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -80.01 -65.18 1.04 Allowed 'General case' 0 CA--C 1.489 -1.386 0 CA-C-N 114.222 -1.354 . . . . 0.0 112.902 -176.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.3 mm? -46.52 -17.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.588 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.54 -52.02 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.522 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.402 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.639 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -60.94 -14.36 22.0 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.365 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.16 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.6 mmm-85 -76.71 -48.21 19.55 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.869 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.31 -24.61 29.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.0 mt -74.25 -41.82 60.67 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.891 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.925 0.393 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.565 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -84.95 -47.1 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 109.589 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.565 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 8.2 pt -81.81 -16.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.055 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.135 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.32 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.044 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.7 mm? -46.7 -17.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.587 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.34 -51.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.415 0 CA-C-N 114.002 -1.453 . . . . 0.0 109.398 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.68 -14.44 31.45 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.222 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.135 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 53.1 mmm-85 -75.51 -48.15 23.84 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.786 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.12 -27.94 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.65 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.3 mt -69.2 -41.68 76.78 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.279 -1.782 . . . . 0.0 109.671 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.895 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.2 mtm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.759 0.314 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.571 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.19 -47.48 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 109.799 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.571 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 9.5 pt -80.05 -16.63 12.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.395 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.165 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.77 -65.29 1.02 Allowed 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.003 -177.059 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mm? -46.59 -17.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.587 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.28 -52.43 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.367 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.64 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -60.55 -14.55 20.57 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.404 178.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.165 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 49.2 mmm-85 -76.68 -48.26 19.46 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.831 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.34 -25.38 29.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.2 mt -73.7 -41.1 63.06 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.933 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 2.9 mtm105 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.742 0.306 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.566 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.14 -47.46 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 109.687 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.566 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 13.7 pt -79.07 -16.58 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.278 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.16 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.98 -65.13 1.04 Allowed 'General case' 0 CA--C 1.489 -1.402 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.041 -177.031 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.1 mm? -46.54 -17.82 0.05 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.59 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.28 -52.28 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.475 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.402 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.635 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -60.78 -14.39 21.19 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.349 178.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.16 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.0 mmm-85 -76.54 -48.04 20.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 113.632 -1.622 . . . . 0.0 111.79 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.29 -25.99 28.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -72.54 -41.62 65.62 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.261 -1.791 . . . . 0.0 109.964 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.847 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -59.94 2.19 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.43 0.633 . . . . 0.0 109.686 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.8 pt -69.9 -16.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.175 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.111 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.57 -64.7 1.06 Allowed 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 113.987 -1.461 . . . . 0.0 113.069 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.64 -17.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.593 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.5 mp -92.21 -49.64 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.345 0 CA-C-N 113.887 -1.506 . . . . 0.0 109.455 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.655 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.0 tm? -60.9 -14.79 24.63 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.186 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.111 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.3 mmm-85 -75.91 -47.66 24.4 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.441 -1.709 . . . . 0.0 111.848 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.08 -27.45 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.63 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -70.56 -40.89 73.07 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.809 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.01 -47.44 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 109.446 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.0 pt -79.98 -16.41 12.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.885 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.138 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -78.63 -65.39 0.99 Allowed 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 113.967 -1.47 . . . . 0.0 113.204 -176.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.4 mm? -46.77 -17.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.587 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.28 -51.19 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.403 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.372 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.47 -14.3 27.63 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.164 178.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.138 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -75.72 -47.96 23.9 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.55 -1.659 . . . . 0.0 111.752 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.22 -28.01 27.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.635 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -69.54 -40.82 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 113.264 -1.789 . . . . 0.0 109.648 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -59.65 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 109.249 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 3.1 pt -70.55 -16.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.164 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.131 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -79.74 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 114.146 -1.388 . . . . 0.0 113.131 -177.082 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.87 -17.99 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.575 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.65 -50.69 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.432 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.535 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.636 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -61.18 -14.38 24.77 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.305 -1.771 . . . . 0.0 111.065 178.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.131 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.1 mmm-85 -75.61 -49.29 18.95 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.578 -1.646 . . . . 0.0 111.751 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.54 -20.72 31.11 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -79.71 -38.79 32.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.358 -1.746 . . . . 0.0 109.943 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.801 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.855 0.36 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -84.9 -52.43 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.573 0.702 . . . . 0.0 109.393 179.038 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.692 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 15.9 pt -76.54 -16.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.17 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.113 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.2 -63.92 1.17 Allowed 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.567 -177.105 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.3 -17.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.613 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.98 -47.56 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 113.674 -1.603 . . . . 0.0 109.279 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.692 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.3 -15.0 21.29 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.23 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.113 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.7 mmm-85 -78.85 -47.05 17.33 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.221 -1.809 . . . . 0.0 112.073 -178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -84.15 -25.46 29.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 5.2 mt -71.63 -44.02 65.11 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.21 -1.813 . . . . 0.0 110.079 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.833 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -59.77 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.522 0.677 . . . . 0.0 109.537 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.751 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 17.2 pt -73.08 -17.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.081 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 1.083 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -76.85 -63.93 1.24 Allowed 'General case' 0 CA--C 1.49 -1.362 0 CA-C-N 113.821 -1.536 . . . . 0.0 113.208 -177.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.3 mm? -46.34 -17.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.601 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.5 -49.09 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.929 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.751 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER -59.88 -14.81 17.09 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 113.148 -1.842 . . . . 0.0 111.474 178.116 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.083 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -77.3 -47.56 19.7 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.824 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.5 mt -84.48 -26.97 27.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.5 mt -71.07 -36.0 72.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.944 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.625 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.418 ' CA ' HD21 ' A' ' 3' ' ' LEU . 4.7 mtt85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.869 0.366 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 11.2 mtm180 67.13 28.11 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.99 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 HD21 ' CA ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -85.24 -59.74 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.532 0.682 . . . . 0.0 109.641 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.734 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 13.2 pt -68.01 -17.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.532 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.1 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.43 -64.09 1.14 Allowed 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 114.131 -1.395 . . . . 0.0 113.442 -177.197 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.34 -17.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.612 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.5 mp -91.34 -48.97 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 113.618 -1.628 . . . . 0.0 109.04 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.734 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.17 -14.81 19.21 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.149 -1.841 . . . . 0.0 111.429 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.1 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.7 mmm-85 -78.09 -47.71 17.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.797 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -84.3 -24.72 29.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.6 mt -73.87 -41.78 61.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.303 -1.771 . . . . 0.0 109.937 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.838 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.4 mtm180 57.86 22.89 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.564 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.21 -47.13 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 109.749 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.564 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 16.9 pt -80.66 -16.62 12.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.308 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.16 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -80.01 -65.18 1.04 Allowed 'General case' 0 CA--C 1.489 -1.386 0 CA-C-N 114.222 -1.354 . . . . 0.0 112.902 -176.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.3 mm? -46.52 -17.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.588 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.54 -52.02 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.522 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.402 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.639 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -60.94 -14.36 22.0 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.365 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.16 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.6 mmm-85 -76.71 -48.21 19.55 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.869 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.31 -24.61 29.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.0 mt -74.25 -41.82 60.67 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.891 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -110.62 38.61 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -84.95 -47.1 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 109.589 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.565 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 8.2 pt -81.81 -16.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.055 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.135 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.32 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.044 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.7 mm? -46.7 -17.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.587 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.34 -51.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.415 0 CA-C-N 114.002 -1.453 . . . . 0.0 109.398 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.68 -14.44 31.45 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.222 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.135 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 53.1 mmm-85 -75.51 -48.15 23.84 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.786 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.12 -27.94 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.65 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.3 mt -69.2 -41.68 76.78 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.279 -1.782 . . . . 0.0 109.671 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.895 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.2 mtm180 59.16 20.58 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.571 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.19 -47.48 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 109.799 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.571 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 9.5 pt -80.05 -16.63 12.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.395 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.165 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.77 -65.29 1.02 Allowed 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.003 -177.059 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mm? -46.59 -17.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.587 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.28 -52.43 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.367 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -60.55 -14.55 20.57 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.404 178.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.165 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 49.2 mmm-85 -76.68 -48.26 19.46 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.831 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.34 -25.38 29.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.2 mt -73.7 -41.1 63.06 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.933 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.811 0.338 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 2.9 mtm105 59.49 20.7 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.14 -47.46 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 109.687 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.566 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 13.7 pt -79.07 -16.58 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.278 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.16 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.98 -65.13 1.04 Allowed 'General case' 0 CA--C 1.489 -1.402 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.041 -177.031 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.1 mm? -46.54 -17.82 0.05 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.59 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.28 -52.28 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.475 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.402 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.635 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -60.78 -14.39 21.19 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.349 178.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.16 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.0 mmm-85 -76.54 -48.04 20.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 113.632 -1.622 . . . . 0.0 111.79 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.29 -25.99 28.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -72.54 -41.62 65.62 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.261 -1.791 . . . . 0.0 109.964 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.847 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.839 0.352 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.46 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -59.94 2.19 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.43 0.633 . . . . 0.0 109.686 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.8 pt -69.9 -16.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.175 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.111 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.57 -64.7 1.06 Allowed 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 113.987 -1.461 . . . . 0.0 113.069 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.64 -17.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.593 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.5 mp -92.21 -49.64 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.345 0 CA-C-N 113.887 -1.506 . . . . 0.0 109.455 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.655 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 2.0 tm? -60.9 -14.79 24.63 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.186 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.111 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.3 mmm-85 -75.91 -47.66 24.4 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.441 -1.709 . . . . 0.0 111.848 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.08 -27.45 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.63 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -70.56 -40.89 73.07 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.809 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.776 0.322 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -101.37 37.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.955 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' HG ' ' N ' ' A' ' 4' ' ' ILE . 2.3 pt? -85.01 -47.44 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 109.446 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.0 pt -79.98 -16.41 12.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.885 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.138 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -78.63 -65.39 0.99 Allowed 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 113.967 -1.47 . . . . 0.0 113.204 -176.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.4 mm? -46.77 -17.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.587 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.28 -51.19 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.403 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.372 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -61.47 -14.3 27.63 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.164 178.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.138 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -75.72 -47.96 23.9 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.55 -1.659 . . . . 0.0 111.752 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.22 -28.01 27.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.635 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -69.54 -40.82 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 113.264 -1.789 . . . . 0.0 109.648 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.43 49.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -59.65 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 109.249 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 3.1 pt -70.55 -16.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.164 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.131 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -79.74 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 114.146 -1.388 . . . . 0.0 113.131 -177.082 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.87 -17.99 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.575 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.65 -50.69 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.432 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.535 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.636 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -61.18 -14.38 24.77 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.305 -1.771 . . . . 0.0 111.065 178.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.131 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.1 mmm-85 -75.61 -49.29 18.95 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.578 -1.646 . . . . 0.0 111.751 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.54 -20.72 31.11 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -79.71 -38.79 32.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.358 -1.746 . . . . 0.0 109.943 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.801 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.725 0.297 . . . . 0.0 111.675 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 42.71 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -84.9 -52.43 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.573 0.702 . . . . 0.0 109.393 179.038 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.692 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 15.9 pt -76.54 -16.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.17 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.113 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.2 -63.92 1.17 Allowed 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.567 -177.105 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.3 -17.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.613 ' N ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.98 -47.56 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 113.674 -1.603 . . . . 0.0 109.279 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.692 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.3 -15.0 21.29 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.23 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.113 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.7 mmm-85 -78.85 -47.05 17.33 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.221 -1.809 . . . . 0.0 112.073 -178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -84.15 -25.46 29.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 5.2 mt -71.63 -44.02 65.11 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.21 -1.813 . . . . 0.0 110.079 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.833 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.805 0.336 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 58.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -59.77 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.522 0.677 . . . . 0.0 109.537 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.751 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 17.2 pt -73.08 -17.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.081 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 1.083 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -76.85 -63.93 1.24 Allowed 'General case' 0 CA--C 1.49 -1.362 0 CA-C-N 113.821 -1.536 . . . . 0.0 113.208 -177.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.3 mm? -46.34 -17.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.601 ' H ' ' C ' ' A' ' 5' ' ' ARG . 1.7 mp -91.5 -49.09 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.929 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.751 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER -59.88 -14.81 17.09 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 113.148 -1.842 . . . . 0.0 111.474 178.116 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.083 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -77.3 -47.56 19.7 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.824 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.5 mt -84.48 -26.97 27.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.5 mt -71.07 -36.0 72.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.944 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.625 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 11.2 mtm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.24 -59.74 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.532 0.682 . . . . 0.0 109.641 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 13.2 pt -68.01 -17.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.532 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.081 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.43 -64.09 1.14 Allowed 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 114.131 -1.395 . . . . 0.0 113.442 -177.197 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.34 -17.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.823 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -91.34 -48.97 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 113.618 -1.628 . . . . 0.0 109.04 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.17 -14.81 19.21 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.149 -1.841 . . . . 0.0 111.429 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.081 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.7 mmm-85 -78.09 -47.71 17.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.797 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -84.3 -24.72 29.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.6 mt -73.87 -41.78 61.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.303 -1.771 . . . . 0.0 109.937 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.838 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.4 mtm180 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.75 0.31 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.21 -47.13 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 109.749 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.585 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 16.9 pt -80.66 -16.62 12.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.308 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -80.01 -65.18 1.04 Allowed 'General case' 0 CA--C 1.489 -1.386 0 CA-C-N 114.222 -1.354 . . . . 0.0 112.902 -176.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.3 mm? -46.52 -17.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.54 -52.02 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.522 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.402 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.94 -14.36 22.0 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.365 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.6 mmm-85 -76.71 -48.21 19.55 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.869 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.31 -24.61 29.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.661 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.0 mt -74.25 -41.82 60.67 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.891 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.925 0.393 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.897 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -84.95 -47.1 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 109.589 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.584 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 8.2 pt -81.81 -16.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.055 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.32 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.044 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -46.7 -17.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.897 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.34 -51.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.415 0 CA-C-N 114.002 -1.453 . . . . 0.0 109.398 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.756 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.68 -14.44 31.45 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.222 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 53.1 mmm-85 -75.51 -48.15 23.84 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.786 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.12 -27.94 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.708 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.3 mt -69.2 -41.68 76.78 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.279 -1.782 . . . . 0.0 109.671 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.895 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.454 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.2 mtm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.759 0.314 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.19 -47.48 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 109.799 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.594 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 9.5 pt -80.05 -16.63 12.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.395 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.15 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.77 -65.29 1.02 Allowed 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.003 -177.059 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mm? -46.59 -17.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.858 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.43 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.367 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.761 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -60.55 -14.55 20.57 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.404 178.633 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.15 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 49.2 mmm-85 -76.68 -48.26 19.46 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.831 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.34 -25.38 29.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.2 mt -73.7 -41.1 63.06 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.933 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 2.9 mtm105 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.742 0.306 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.856 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.14 -47.46 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 109.687 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.586 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 13.7 pt -79.07 -16.58 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.278 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.143 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.98 -65.13 1.04 Allowed 'General case' 0 CA--C 1.489 -1.402 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.041 -177.031 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.1 mm? -46.54 -17.82 0.05 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.856 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.28 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.475 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.402 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.78 -14.39 21.19 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.349 178.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.143 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.0 mmm-85 -76.54 -48.04 20.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 113.632 -1.622 . . . . 0.0 111.79 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.29 -25.99 28.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.664 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -72.54 -41.62 65.62 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.261 -1.791 . . . . 0.0 109.964 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.847 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.02 -59.94 2.19 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.43 0.633 . . . . 0.0 109.686 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.8 pt -69.9 -16.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.175 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.092 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.57 -64.7 1.06 Allowed 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 113.987 -1.461 . . . . 0.0 113.069 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.64 -17.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.868 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -92.21 -49.64 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.345 0 CA-C-N 113.887 -1.506 . . . . 0.0 109.455 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.0 tm? -60.9 -14.79 24.63 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.186 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.092 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.3 mmm-85 -75.91 -47.66 24.4 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.441 -1.709 . . . . 0.0 111.848 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.08 -27.45 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -70.56 -40.89 73.07 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.809 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.01 -47.44 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 109.446 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.581 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.0 pt -79.98 -16.41 12.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.885 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.13 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -78.63 -65.39 0.99 Allowed 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 113.967 -1.47 . . . . 0.0 113.204 -176.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.4 mm? -46.77 -17.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -51.19 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.403 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.372 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.47 -14.3 27.63 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.164 178.562 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.13 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -75.72 -47.96 23.9 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.55 -1.659 . . . . 0.0 111.752 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.22 -28.01 27.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.69 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -69.54 -40.82 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 113.264 -1.789 . . . . 0.0 109.648 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.821 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.38 -59.65 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 109.249 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 3.1 pt -70.55 -16.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.164 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.124 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -79.74 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 114.146 -1.388 . . . . 0.0 113.131 -177.082 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.87 -17.99 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.65 -50.69 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.432 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.535 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.18 -14.38 24.77 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.305 -1.771 . . . . 0.0 111.065 178.47 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.124 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.1 mmm-85 -75.61 -49.29 18.95 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.578 -1.646 . . . . 0.0 111.751 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.54 -20.72 31.11 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -79.71 -38.79 32.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.358 -1.746 . . . . 0.0 109.943 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.801 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.855 0.36 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.9 -52.43 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.573 0.702 . . . . 0.0 109.393 179.038 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.684 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 15.9 pt -76.54 -16.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.17 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.097 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.2 -63.92 1.17 Allowed 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.567 -177.105 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.3 -17.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.98 -47.56 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 113.674 -1.603 . . . . 0.0 109.279 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.3 -15.0 21.29 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.23 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.097 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.7 mmm-85 -78.85 -47.05 17.33 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.221 -1.809 . . . . 0.0 112.073 -178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -84.15 -25.46 29.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.591 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -71.63 -44.02 65.11 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.21 -1.813 . . . . 0.0 110.079 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.833 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.887 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.23 -59.77 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.522 0.677 . . . . 0.0 109.537 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.744 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 17.2 pt -73.08 -17.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.081 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 1.096 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -76.85 -63.93 1.24 Allowed 'General case' 0 CA--C 1.49 -1.362 0 CA-C-N 113.821 -1.536 . . . . 0.0 113.208 -177.236 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.3 mm? -46.34 -17.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.5 -49.09 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.929 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.744 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER -59.88 -14.81 17.09 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 113.148 -1.842 . . . . 0.0 111.474 178.116 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.096 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -77.3 -47.56 19.7 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.824 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.5 mt -84.48 -26.97 27.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.5 mt -71.07 -36.0 72.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.944 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.625 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.869 0.366 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 11.2 mtm180 67.13 28.11 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.99 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.24 -59.74 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.532 0.682 . . . . 0.0 109.641 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 13.2 pt -68.01 -17.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.532 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.081 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.43 -64.09 1.14 Allowed 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 114.131 -1.395 . . . . 0.0 113.442 -177.197 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.34 -17.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.823 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -91.34 -48.97 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 113.618 -1.628 . . . . 0.0 109.04 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.17 -14.81 19.21 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.149 -1.841 . . . . 0.0 111.429 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.081 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.7 mmm-85 -78.09 -47.71 17.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.797 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -84.3 -24.72 29.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.6 mt -73.87 -41.78 61.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.303 -1.771 . . . . 0.0 109.937 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.838 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.4 mtm180 57.86 22.89 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.21 -47.13 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 109.749 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.585 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 16.9 pt -80.66 -16.62 12.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.308 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -80.01 -65.18 1.04 Allowed 'General case' 0 CA--C 1.489 -1.386 0 CA-C-N 114.222 -1.354 . . . . 0.0 112.902 -176.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.3 mm? -46.52 -17.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.54 -52.02 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.522 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.402 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.94 -14.36 22.0 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.365 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.6 mmm-85 -76.71 -48.21 19.55 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.869 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.31 -24.61 29.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.661 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.0 mt -74.25 -41.82 60.67 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.891 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -110.62 38.61 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.897 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -84.95 -47.1 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 109.589 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.584 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 8.2 pt -81.81 -16.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.055 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.32 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.044 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -46.7 -17.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.897 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.34 -51.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.415 0 CA-C-N 114.002 -1.453 . . . . 0.0 109.398 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.756 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.68 -14.44 31.45 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.222 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 53.1 mmm-85 -75.51 -48.15 23.84 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.786 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.12 -27.94 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.3 mt -69.2 -41.68 76.78 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.279 -1.782 . . . . 0.0 109.671 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.895 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.2 mtm180 59.16 20.58 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.19 -47.48 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 109.799 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.594 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 9.5 pt -80.05 -16.63 12.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.395 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.15 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.77 -65.29 1.02 Allowed 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.003 -177.059 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mm? -46.59 -17.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.858 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.43 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.367 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.761 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -60.55 -14.55 20.57 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.404 178.633 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.15 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 49.2 mmm-85 -76.68 -48.26 19.46 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.831 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.34 -25.38 29.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.2 mt -73.7 -41.1 63.06 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.933 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.811 0.338 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 2.9 mtm105 59.49 20.7 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.856 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.14 -47.46 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 109.687 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.586 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 13.7 pt -79.07 -16.58 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.278 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.143 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.98 -65.13 1.04 Allowed 'General case' 0 CA--C 1.489 -1.402 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.041 -177.031 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.1 mm? -46.54 -17.82 0.05 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.856 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.28 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.475 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.402 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.78 -14.39 21.19 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.349 178.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.143 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.0 mmm-85 -76.54 -48.04 20.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 113.632 -1.622 . . . . 0.0 111.79 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.29 -25.99 28.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.664 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -72.54 -41.62 65.62 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.261 -1.791 . . . . 0.0 109.964 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.847 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.839 0.352 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.46 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.02 -59.94 2.19 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.43 0.633 . . . . 0.0 109.686 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.8 pt -69.9 -16.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.175 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.092 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.57 -64.7 1.06 Allowed 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 113.987 -1.461 . . . . 0.0 113.069 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.64 -17.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.868 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -92.21 -49.64 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.345 0 CA-C-N 113.887 -1.506 . . . . 0.0 109.455 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 8' ' ' LEU . 2.0 tm? -60.9 -14.79 24.63 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.186 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.092 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.3 mmm-85 -75.91 -47.66 24.4 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.441 -1.709 . . . . 0.0 111.848 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.08 -27.45 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -70.56 -40.89 73.07 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.809 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.776 0.322 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -101.37 37.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.955 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.01 -47.44 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 109.446 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.0 pt -79.98 -16.41 12.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.885 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.13 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -78.63 -65.39 0.99 Allowed 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 113.967 -1.47 . . . . 0.0 113.204 -176.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.4 mm? -46.77 -17.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -51.19 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.403 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.372 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.47 -14.3 27.63 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.164 178.562 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.13 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -75.72 -47.96 23.9 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.55 -1.659 . . . . 0.0 111.752 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.22 -28.01 27.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -69.54 -40.82 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 113.264 -1.789 . . . . 0.0 109.648 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.43 49.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.821 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.38 -59.65 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 109.249 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 3.1 pt -70.55 -16.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.164 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.124 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -79.74 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 114.146 -1.388 . . . . 0.0 113.131 -177.082 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.87 -17.99 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.65 -50.69 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.432 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.535 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.18 -14.38 24.77 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.305 -1.771 . . . . 0.0 111.065 178.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.124 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.1 mmm-85 -75.61 -49.29 18.95 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.578 -1.646 . . . . 0.0 111.751 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.54 -20.72 31.11 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -79.71 -38.79 32.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.358 -1.746 . . . . 0.0 109.943 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.801 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.477 ' H3 ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.725 0.297 . . . . 0.0 111.675 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 42.71 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.9 -52.43 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.573 0.702 . . . . 0.0 109.393 179.038 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.684 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 15.9 pt -76.54 -16.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.17 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.097 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.2 -63.92 1.17 Allowed 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.567 -177.105 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.3 -17.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.98 -47.56 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 113.674 -1.603 . . . . 0.0 109.279 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.3 -15.0 21.29 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.23 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.097 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.7 mmm-85 -78.85 -47.05 17.33 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.221 -1.809 . . . . 0.0 112.073 -178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -84.15 -25.46 29.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.591 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -71.63 -44.02 65.11 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.21 -1.813 . . . . 0.0 110.079 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.833 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.805 0.336 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 58.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.887 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.23 -59.77 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.522 0.677 . . . . 0.0 109.537 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.744 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 17.2 pt -73.08 -17.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.081 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 1.096 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -76.85 -63.93 1.24 Allowed 'General case' 0 CA--C 1.49 -1.362 0 CA-C-N 113.821 -1.536 . . . . 0.0 113.208 -177.236 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.3 mm? -46.34 -17.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.5 -49.09 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.929 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.744 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER -59.88 -14.81 17.09 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 113.148 -1.842 . . . . 0.0 111.474 178.116 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.096 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -77.3 -47.56 19.7 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.824 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.5 mt -84.48 -26.97 27.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.5 mt -71.07 -36.0 72.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.944 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.625 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 11.2 mtm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.24 -59.74 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.532 0.682 . . . . 0.0 109.641 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 13.2 pt -68.01 -17.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.532 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.081 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.43 -64.09 1.14 Allowed 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 114.131 -1.395 . . . . 0.0 113.442 -177.197 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.34 -17.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.823 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -91.34 -48.97 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 113.618 -1.628 . . . . 0.0 109.04 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.17 -14.81 19.21 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.149 -1.841 . . . . 0.0 111.429 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.081 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.7 mmm-85 -78.09 -47.71 17.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.797 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -84.3 -24.72 29.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.6 mt -73.87 -41.78 61.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.303 -1.771 . . . . 0.0 109.937 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.838 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.4 mtm180 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.75 0.31 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.21 -47.13 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 109.749 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.585 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 16.9 pt -80.66 -16.62 12.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.308 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -80.01 -65.18 1.04 Allowed 'General case' 0 CA--C 1.489 -1.386 0 CA-C-N 114.222 -1.354 . . . . 0.0 112.902 -176.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.3 mm? -46.52 -17.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.54 -52.02 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.522 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.402 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.94 -14.36 22.0 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.365 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.6 mmm-85 -76.71 -48.21 19.55 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.869 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.31 -24.61 29.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.661 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.0 mt -74.25 -41.82 60.67 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.891 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.925 0.393 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.897 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -84.95 -47.1 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 109.589 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.584 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 8.2 pt -81.81 -16.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.055 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.32 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.044 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -46.7 -17.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.897 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.34 -51.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.415 0 CA-C-N 114.002 -1.453 . . . . 0.0 109.398 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.756 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.68 -14.44 31.45 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.222 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 53.1 mmm-85 -75.51 -48.15 23.84 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.786 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.12 -27.94 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.708 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.3 mt -69.2 -41.68 76.78 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.279 -1.782 . . . . 0.0 109.671 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.895 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.454 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.2 mtm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.759 0.314 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.19 -47.48 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 109.799 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.594 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 9.5 pt -80.05 -16.63 12.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.395 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.15 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.77 -65.29 1.02 Allowed 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.003 -177.059 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mm? -46.59 -17.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.858 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.43 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.367 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.761 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -60.55 -14.55 20.57 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.404 178.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.15 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 49.2 mmm-85 -76.68 -48.26 19.46 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.831 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.34 -25.38 29.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.2 mt -73.7 -41.1 63.06 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.933 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 2.9 mtm105 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.742 0.306 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.856 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.14 -47.46 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 109.687 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.586 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 13.7 pt -79.07 -16.58 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.278 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.143 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.98 -65.13 1.04 Allowed 'General case' 0 CA--C 1.489 -1.402 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.041 -177.031 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.1 mm? -46.54 -17.82 0.05 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.856 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.28 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.475 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.402 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.78 -14.39 21.19 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.349 178.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.143 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.0 mmm-85 -76.54 -48.04 20.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 113.632 -1.622 . . . . 0.0 111.79 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.29 -25.99 28.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.664 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -72.54 -41.62 65.62 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.261 -1.791 . . . . 0.0 109.964 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.847 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.839 0.352 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.02 -59.94 2.19 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.43 0.633 . . . . 0.0 109.686 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.8 pt -69.9 -16.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.175 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.092 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.57 -64.7 1.06 Allowed 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 113.987 -1.461 . . . . 0.0 113.069 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.64 -17.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.868 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -92.21 -49.64 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.345 0 CA-C-N 113.887 -1.506 . . . . 0.0 109.455 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.0 tm? -60.9 -14.79 24.63 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.186 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.092 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.3 mmm-85 -75.91 -47.66 24.4 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.441 -1.709 . . . . 0.0 111.848 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.08 -27.45 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -70.56 -40.89 73.07 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.809 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.374 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.01 -47.44 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 109.446 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.581 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.0 pt -79.98 -16.41 12.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.885 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.13 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -78.63 -65.39 0.99 Allowed 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 113.967 -1.47 . . . . 0.0 113.204 -176.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.4 mm? -46.77 -17.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -51.19 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.403 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.372 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.47 -14.3 27.63 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.164 178.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.13 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -75.72 -47.96 23.9 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.55 -1.659 . . . . 0.0 111.752 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.22 -28.01 27.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.69 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -69.54 -40.82 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 113.264 -1.789 . . . . 0.0 109.648 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.873 0.368 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.821 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.38 -59.65 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 109.249 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 3.1 pt -70.55 -16.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.164 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.124 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -79.74 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 114.146 -1.388 . . . . 0.0 113.131 -177.082 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.87 -17.99 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.65 -50.69 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.432 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.535 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.18 -14.38 24.77 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.305 -1.771 . . . . 0.0 111.065 178.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.124 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.1 mmm-85 -75.61 -49.29 18.95 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.578 -1.646 . . . . 0.0 111.751 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.54 -20.72 31.11 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -79.71 -38.79 32.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.358 -1.746 . . . . 0.0 109.943 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.801 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.855 0.36 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.9 -52.43 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.573 0.702 . . . . 0.0 109.393 179.038 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.684 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 15.9 pt -76.54 -16.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.17 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.097 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.2 -63.92 1.17 Allowed 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.567 -177.105 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.3 -17.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.98 -47.56 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 113.674 -1.603 . . . . 0.0 109.279 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.3 -15.0 21.29 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.23 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.097 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.7 mmm-85 -78.85 -47.05 17.33 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.221 -1.809 . . . . 0.0 112.073 -178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -84.15 -25.46 29.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.591 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -71.63 -44.02 65.11 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.21 -1.813 . . . . 0.0 110.079 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.833 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.887 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.23 -59.77 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.522 0.677 . . . . 0.0 109.537 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.744 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 17.2 pt -73.08 -17.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.081 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 1.096 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -76.85 -63.93 1.24 Allowed 'General case' 0 CA--C 1.49 -1.362 0 CA-C-N 113.821 -1.536 . . . . 0.0 113.208 -177.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.3 mm? -46.34 -17.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.5 -49.09 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.929 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.744 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER -59.88 -14.81 17.09 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 113.148 -1.842 . . . . 0.0 111.474 178.116 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.096 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -77.3 -47.56 19.7 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.824 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.5 mt -84.48 -26.97 27.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.5 mt -71.07 -36.0 72.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.944 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.625 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.869 0.366 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.413 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 11.2 mtm180 67.13 28.11 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.99 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.24 -59.74 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.532 0.682 . . . . 0.0 109.641 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.719 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 13.2 pt -68.01 -17.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.532 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.081 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.43 -64.09 1.14 Allowed 'General case' 0 CA--C 1.49 -1.364 0 CA-C-N 114.131 -1.395 . . . . 0.0 113.442 -177.197 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.34 -17.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.823 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -91.34 -48.97 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.302 0 CA-C-N 113.618 -1.628 . . . . 0.0 109.04 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.719 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.17 -14.81 19.21 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 113.149 -1.841 . . . . 0.0 111.429 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.081 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.7 mmm-85 -78.09 -47.71 17.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.797 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -84.3 -24.72 29.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.6 mt -73.87 -41.78 61.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.303 -1.771 . . . . 0.0 109.937 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.838 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.4 mtm180 57.86 22.89 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.21 -47.13 10.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 109.749 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.585 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 16.9 pt -80.66 -16.62 12.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.308 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -80.01 -65.18 1.04 Allowed 'General case' 0 CA--C 1.489 -1.386 0 CA-C-N 114.222 -1.354 . . . . 0.0 112.902 -176.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.3 mm? -46.52 -17.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.54 -52.02 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.522 0 CA-C-N 113.983 -1.462 . . . . 0.0 109.402 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.94 -14.36 22.0 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.365 178.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.6 mmm-85 -76.71 -48.21 19.55 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.869 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.31 -24.61 29.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.661 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.0 mt -74.25 -41.82 60.67 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.891 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.797 0.332 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -110.62 38.61 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.897 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -84.95 -47.1 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 109.589 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.584 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 8.2 pt -81.81 -16.42 12.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.055 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.142 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.32 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.044 -176.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -46.7 -17.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.897 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.34 -51.31 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.415 0 CA-C-N 114.002 -1.453 . . . . 0.0 109.398 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.756 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.68 -14.44 31.45 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.222 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.142 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 53.1 mmm-85 -75.51 -48.15 23.84 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.565 -1.652 . . . . 0.0 111.786 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.12 -27.94 27.83 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.3 mt -69.2 -41.68 76.78 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.279 -1.782 . . . . 0.0 109.671 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.895 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 7.2 mtm180 59.16 20.58 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.19 -47.48 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 109.799 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.594 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 9.5 pt -80.05 -16.63 12.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.395 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.15 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.77 -65.29 1.02 Allowed 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.003 -177.059 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.2 mm? -46.59 -17.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.858 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.43 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.531 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.367 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.761 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -60.55 -14.55 20.57 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.404 178.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.15 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 49.2 mmm-85 -76.68 -48.26 19.46 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.831 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.34 -25.38 29.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.2 mt -73.7 -41.1 63.06 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.295 -1.775 . . . . 0.0 109.933 178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.811 0.338 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 2.9 mtm105 59.49 20.7 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.856 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.14 -47.46 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.627 0.727 . . . . 0.0 109.687 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.586 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 13.7 pt -79.07 -16.58 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.278 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.143 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -79.98 -65.13 1.04 Allowed 'General case' 0 CA--C 1.489 -1.402 0 CA-C-N 114.147 -1.388 . . . . 0.0 113.041 -177.031 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' ARG . 2.1 mm? -46.54 -17.82 0.05 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.856 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -52.28 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.475 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.402 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -60.78 -14.39 21.19 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.349 178.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.143 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.0 mmm-85 -76.54 -48.04 20.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-N 113.632 -1.622 . . . . 0.0 111.79 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -84.29 -25.99 28.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.664 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -72.54 -41.62 65.62 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.261 -1.791 . . . . 0.0 109.964 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.847 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.839 0.352 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.46 41.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -85.02 -59.94 2.19 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.43 0.633 . . . . 0.0 109.686 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' LEU . 6.8 pt -69.9 -16.68 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.175 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.092 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.57 -64.7 1.06 Allowed 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 113.987 -1.461 . . . . 0.0 113.069 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.64 -17.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.868 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.5 mp -92.21 -49.64 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.345 0 CA-C-N 113.887 -1.506 . . . . 0.0 109.455 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 8' ' ' LEU . 2.0 tm? -60.9 -14.79 24.63 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.186 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.092 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 45.3 mmm-85 -75.91 -47.66 24.4 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.441 -1.709 . . . . 0.0 111.848 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.08 -27.45 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.691 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -70.56 -40.89 73.07 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.809 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.776 0.322 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -101.37 37.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.955 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.917 ' O ' HD13 ' A' ' 7' ' ' ILE . 2.3 pt? -85.01 -47.44 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 109.446 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.0 pt -79.98 -16.41 12.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.885 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.13 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -78.63 -65.39 0.99 Allowed 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 113.967 -1.47 . . . . 0.0 113.204 -176.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.4 mm? -46.77 -17.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.28 -51.19 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.403 0 CA-C-N 113.988 -1.46 . . . . 0.0 109.372 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -61.47 -14.3 27.63 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 113.247 -1.797 . . . . 0.0 111.164 178.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.13 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -75.72 -47.96 23.9 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.55 -1.659 . . . . 0.0 111.752 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.22 -28.01 27.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -69.54 -40.82 76.64 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 113.264 -1.789 . . . . 0.0 109.648 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.43 49.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.821 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.38 -59.65 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.644 0.735 . . . . 0.0 109.249 178.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 3.1 pt -70.55 -16.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.164 177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.124 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -79.74 -65.28 1.02 Allowed 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 114.146 -1.388 . . . . 0.0 113.131 -177.082 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.87 -17.99 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.821 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.65 -50.69 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.432 0 CA-C-N 114.035 -1.439 . . . . 0.0 109.535 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -61.18 -14.38 24.77 Favored 'General case' 0 C--N 1.292 -1.924 0 CA-C-N 113.305 -1.771 . . . . 0.0 111.065 178.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.124 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.1 mmm-85 -75.61 -49.29 18.95 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.578 -1.646 . . . . 0.0 111.751 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.54 -20.72 31.11 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.671 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.9 mt -79.71 -38.79 32.65 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.358 -1.746 . . . . 0.0 109.943 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.801 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.477 ' H3 ' HD23 ' A' ' 3' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.725 0.297 . . . . 0.0 111.675 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 42.71 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.895 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.9 -52.43 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.573 0.702 . . . . 0.0 109.393 179.038 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.684 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 15.9 pt -76.54 -16.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.17 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.097 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -75.2 -63.92 1.17 Allowed 'General case' 0 CA--C 1.49 -1.351 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.567 -177.105 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.1 mm? -46.3 -17.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.895 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.98 -47.56 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 113.674 -1.603 . . . . 0.0 109.279 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -60.3 -15.0 21.29 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.23 178.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.097 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 46.7 mmm-85 -78.85 -47.05 17.33 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.221 -1.809 . . . . 0.0 112.073 -178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -84.15 -25.46 29.6 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.591 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 5.2 mt -71.63 -44.02 65.11 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 113.21 -1.813 . . . . 0.0 110.079 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.833 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.805 0.336 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 58.0 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.887 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -85.23 -59.77 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.522 0.677 . . . . 0.0 109.537 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.744 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 17.2 pt -73.08 -17.09 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.081 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 1.096 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -76.85 -63.93 1.24 Allowed 'General case' 0 CA--C 1.49 -1.362 0 CA-C-N 113.821 -1.536 . . . . 0.0 113.208 -177.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . 1.3 mm? -46.34 -17.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.887 HD13 ' O ' ' A' ' 3' ' ' LEU . 1.7 mp -91.5 -49.09 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.929 178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.744 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 0.7 OUTLIER -59.88 -14.81 17.09 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 113.148 -1.842 . . . . 0.0 111.474 178.116 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.096 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 47.0 mmm-85 -77.3 -47.56 19.7 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.394 -1.73 . . . . 0.0 111.824 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.5 mt -84.48 -26.97 27.79 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 4.5 mt -71.07 -36.0 72.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.944 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.625 -179.404 . . . . . . . . 2 2 . 1 stop_ save_