data_1vm5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1vm5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.627 0.251 . . . . 0.0 110.431 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.462 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.47 -37.49 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.388 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -46.44 -44.04 17.01 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 5' ' ' ILE . 85.8 mt -61.61 -40.77 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.987 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 3' ' ' PHE . 7.9 mt -64.71 -27.72 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.93 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -29.98 50.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.717 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -76.22 -33.7 59.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.65 -27.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -77.31 -37.44 52.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.62 -16.81 60.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -75.51 -31.95 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.181 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--O 1.232 0.155 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.638 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.703 0.287 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.84 -20.36 56.54 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.896 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -48.04 79.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.436 HD12 HG21 ' A' ' 5' ' ' ILE . 70.4 mt -57.31 -41.79 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.531 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.81 -30.27 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.733 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -77.79 -28.83 50.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -75.36 -34.71 61.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.483 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 mt -61.56 -27.76 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -77.88 -34.32 51.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.826 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.99 -15.91 59.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -77.26 -32.66 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.124 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.333 -0.136 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.639 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.661 0.267 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.438 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -59.08 -36.92 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 109.778 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -48.0 -54.64 12.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.11 -43.11 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 3' ' ' PHE . 7.1 mt -60.57 -30.03 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.685 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.67 -27.94 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -74.85 -34.21 62.25 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.541 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 32.9 mt -63.16 -27.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.469 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.73 -51.52 6.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.39 -22.26 30.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -83.49 -36.33 24.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.198 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.648 0.261 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -51.72 -19.48 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.743 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -62.82 -49.05 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.9 -42.24 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.631 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 mt -60.88 -30.73 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.851 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -77.65 -28.69 51.34 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.61 -34.49 60.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.041 -0.982 . . . . 0.0 108.567 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.82 -27.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -76.74 -35.67 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.765 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -76.27 -15.98 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -76.43 -32.47 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.148 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.333 -0.112 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.587 0.232 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -62.95 -24.89 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.944 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -57.93 -52.32 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.429 HD11 HG21 ' A' ' 5' ' ' ILE . 63.4 mt -54.93 -43.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.21 -30.81 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.937 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -78.7 -26.64 44.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -77.24 -34.55 55.87 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.49 -27.98 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -76.74 -37.97 55.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.929 -1.487 . . . . 0.0 109.931 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.24 -15.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -76.49 -32.87 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.197 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -144.0 -64.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.627 0.251 . . . . 0.0 110.431 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.462 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.47 -37.49 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.388 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -46.44 -44.04 17.01 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 5' ' ' ILE . 85.8 mt -61.61 -40.77 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.987 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 3' ' ' PHE . 7.9 mt -64.71 -27.72 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.93 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -29.98 50.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.717 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -76.22 -33.7 59.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.65 -27.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -77.31 -37.44 52.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.62 -16.81 60.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -75.51 -31.95 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.181 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -131.1 14.44 5.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.638 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.562 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -47.4 20.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.84 -20.36 56.54 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.896 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -48.04 79.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.436 HD12 HG21 ' A' ' 5' ' ' ILE . 70.4 mt -57.31 -41.79 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.531 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.0 mt -60.81 -30.27 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.733 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -77.79 -28.83 50.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -75.36 -34.71 61.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.483 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.2 mt -61.56 -27.76 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -77.88 -34.32 51.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.826 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.99 -15.91 59.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -77.26 -32.66 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.124 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -129.96 11.43 5.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.639 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.562 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 tp -126.88 -32.72 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.661 0.267 . . . . 0.0 110.46 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.438 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -59.08 -36.92 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 109.778 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -48.0 -54.64 12.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.11 -43.11 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 3' ' ' PHE . 7.1 mt -60.57 -30.03 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.685 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.67 -27.94 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -74.85 -34.21 62.25 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.541 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 32.9 mt -63.16 -27.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.469 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -86.73 -51.52 6.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.39 -22.26 30.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -83.49 -36.33 24.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.699 ' CD1' ' N ' ' A' ' 14' ' ' NH2 . 0.2 OUTLIER -134.12 -49.97 0.81 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.198 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.699 ' N ' ' CD1' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.029 -1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -62.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.648 0.261 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -51.72 -19.48 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.743 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -62.82 -49.05 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.9 -42.24 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.631 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 mt -60.88 -30.73 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.851 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -77.65 -28.69 51.34 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.61 -34.49 60.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.041 -0.982 . . . . 0.0 108.567 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.7 mt -61.82 -27.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -76.74 -35.67 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.765 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -76.27 -15.98 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -76.43 -32.47 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.148 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -130.41 12.0 5.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.7 tp -89.84 -37.45 14.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.587 0.232 . . . . 0.0 110.786 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -62.95 -24.89 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.944 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 72.1 m-20 -57.93 -52.32 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.429 HD11 HG21 ' A' ' 5' ' ' ILE . 63.4 mt -54.93 -43.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.21 -30.81 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.937 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -78.7 -26.64 44.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -77.24 -34.55 55.87 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.49 -27.98 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -76.74 -37.97 55.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.929 -1.487 . . . . 0.0 109.931 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.24 -15.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -76.49 -32.87 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.197 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -130.12 12.35 5.6 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.585 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.303 -1.437 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.627 0.251 . . . . 0.0 110.431 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.47 -37.49 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.388 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -46.44 -44.04 17.01 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.61 -40.77 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.987 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.687 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.9 mt -64.71 -27.72 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.93 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -29.98 50.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.717 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -76.22 -33.7 59.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 6' ' ' ILE . 39.8 mt -61.65 -27.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -77.31 -37.44 52.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.62 -16.81 60.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -75.51 -31.95 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.181 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--O 1.232 0.155 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.638 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.703 0.287 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.487 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.7 t80 -59.84 -20.36 56.54 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.896 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -48.04 79.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.31 -41.79 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.531 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.0 mt -60.81 -30.27 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.733 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 mmtp -77.79 -28.83 50.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -75.36 -34.71 61.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.483 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 6' ' ' ILE . 40.2 mt -61.56 -27.76 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.457 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -77.88 -34.32 51.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.826 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.99 -15.91 59.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -77.26 -32.66 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.124 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.333 -0.136 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.639 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 2' ' ' LEU . 7.6 tp . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.661 0.267 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -59.08 -36.92 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 109.778 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -48.0 -54.64 12.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.11 -43.11 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.1 mt -60.57 -30.03 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.685 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.67 -27.94 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -74.85 -34.21 62.25 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 6' ' ' ILE . 32.9 mt -63.16 -27.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.469 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.73 -51.52 6.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.39 -22.26 30.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -83.49 -36.33 24.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.198 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.648 0.261 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.477 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.1 t80 -51.72 -19.48 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.743 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -62.82 -49.05 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.9 -42.24 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.631 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.5 mt -60.88 -30.73 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.851 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 19.8 mmtp -77.65 -28.69 51.34 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.61 -34.49 60.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.041 -0.982 . . . . 0.0 108.567 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.7 mt -61.82 -27.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -76.74 -35.67 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.765 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -76.27 -15.98 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -76.43 -32.47 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.148 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.333 -0.112 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 2' ' ' LEU . 31.7 tp . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.587 0.232 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.42 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.6 t80 -62.95 -24.89 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.944 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -57.93 -52.32 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -54.93 -43.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.6 mt -60.21 -30.81 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -78.7 -26.64 44.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -77.24 -34.55 55.87 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.9 mt -61.49 -27.98 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -76.74 -37.97 55.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.929 -1.487 . . . . 0.0 109.931 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.24 -15.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -76.49 -32.87 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.197 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -144.0 -64.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.627 0.251 . . . . 0.0 110.431 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.47 -37.49 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.388 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -46.44 -44.04 17.01 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.61 -40.77 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.987 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.687 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.9 mt -64.71 -27.72 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.93 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -29.98 50.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.717 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -76.22 -33.7 59.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 6' ' ' ILE . 39.8 mt -61.65 -27.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -77.31 -37.44 52.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.62 -16.81 60.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -75.51 -31.95 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.181 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -131.1 14.44 5.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.638 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.562 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -77.03 -47.4 20.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.487 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.7 t80 -59.84 -20.36 56.54 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.896 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -48.04 79.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.31 -41.79 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.531 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.0 mt -60.81 -30.27 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.733 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 mmtp -77.79 -28.83 50.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -75.36 -34.71 61.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.483 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 6' ' ' ILE . 40.2 mt -61.56 -27.76 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -77.88 -34.32 51.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.826 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.99 -15.91 59.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -77.26 -32.66 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.124 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -129.96 11.43 5.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.639 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.562 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 2' ' ' LEU . 7.6 tp -126.88 -32.72 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.661 0.267 . . . . 0.0 110.46 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -59.08 -36.92 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 109.778 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -48.0 -54.64 12.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.11 -43.11 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.1 mt -60.57 -30.03 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.685 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.67 -27.94 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -74.85 -34.21 62.25 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 6' ' ' ILE . 32.9 mt -63.16 -27.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.469 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -86.73 -51.52 6.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.39 -22.26 30.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -83.49 -36.33 24.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.699 ' CD1' ' N ' ' A' ' 14' ' ' NH2 . 0.2 OUTLIER -134.12 -49.97 0.81 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.198 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.699 ' N ' ' CD1' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.029 -1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -80.14 -62.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.648 0.261 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.477 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.1 t80 -51.72 -19.48 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.743 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -62.82 -49.05 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.9 -42.24 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.631 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.5 mt -60.88 -30.73 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.851 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 19.8 mmtp -77.65 -28.69 51.34 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.61 -34.49 60.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.041 -0.982 . . . . 0.0 108.567 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.7 mt -61.82 -27.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -76.74 -35.67 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.765 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -76.27 -15.98 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -76.43 -32.47 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.148 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 -130.41 12.0 5.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 2' ' ' LEU . 31.7 tp -89.84 -37.45 14.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.587 0.232 . . . . 0.0 110.786 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.42 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.6 t80 -62.95 -24.89 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.944 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 72.1 m-20 -57.93 -52.32 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -54.93 -43.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.6 mt -60.21 -30.81 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -78.7 -26.64 44.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -77.24 -34.55 55.87 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.9 mt -61.49 -27.98 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -76.74 -37.97 55.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.929 -1.487 . . . . 0.0 109.931 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.24 -15.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -76.49 -32.87 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.197 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 -130.12 12.35 5.6 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.585 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.303 -1.437 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.627 0.251 . . . . 0.0 110.431 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.47 -37.49 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.388 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -46.44 -44.04 17.01 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.61 -40.77 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.987 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.687 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.9 mt -64.71 -27.72 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.93 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -29.98 50.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.717 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -76.22 -33.7 59.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 6' ' ' ILE . 39.8 mt -61.65 -27.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -77.31 -37.44 52.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.62 -16.81 60.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -75.51 -31.95 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.181 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--O 1.232 0.155 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.638 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.703 0.287 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.487 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.7 t80 -59.84 -20.36 56.54 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.896 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -48.04 79.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.31 -41.79 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.531 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.0 mt -60.81 -30.27 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.733 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 mmtp -77.79 -28.83 50.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -75.36 -34.71 61.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.483 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 6' ' ' ILE . 40.2 mt -61.56 -27.76 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.457 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -77.88 -34.32 51.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.826 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.99 -15.91 59.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -77.26 -32.66 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.124 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 . . . . . 0 C--N 1.333 -0.136 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.639 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 2' ' ' LEU . 7.6 tp . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.661 0.267 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -59.08 -36.92 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 109.778 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -48.0 -54.64 12.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.11 -43.11 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.1 mt -60.57 -30.03 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.685 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.67 -27.94 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -74.85 -34.21 62.25 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 6' ' ' ILE . 32.9 mt -63.16 -27.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.469 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.73 -51.52 6.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.39 -22.26 30.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -83.49 -36.33 24.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.198 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.648 0.261 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.477 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.1 t80 -51.72 -19.48 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.743 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -62.82 -49.05 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.9 -42.24 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.631 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.5 mt -60.88 -30.73 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.851 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 19.8 mmtp -77.65 -28.69 51.34 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.61 -34.49 60.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.041 -0.982 . . . . 0.0 108.567 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.7 mt -61.82 -27.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -76.74 -35.67 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.765 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -76.27 -15.98 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -76.43 -32.47 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.148 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.333 -0.112 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 2' ' ' LEU . 31.7 tp . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.587 0.232 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.42 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.6 t80 -62.95 -24.89 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.944 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -57.93 -52.32 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -54.93 -43.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.6 mt -60.21 -30.81 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -78.7 -26.64 44.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -77.24 -34.55 55.87 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.9 mt -61.49 -27.98 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . . . -76.74 -37.97 55.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.929 -1.487 . . . . 0.0 109.931 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.24 -15.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -76.49 -32.87 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.197 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -144.0 -64.25 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.627 0.251 . . . . 0.0 110.431 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -48.47 -37.49 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.388 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -46.44 -44.04 17.01 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.61 -40.77 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.987 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.687 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.9 mt -64.71 -27.72 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.93 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -29.98 50.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.717 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -76.22 -33.7 59.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 6' ' ' ILE . 39.8 mt -61.65 -27.6 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -77.31 -37.44 52.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.62 -16.81 60.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -75.51 -31.95 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.181 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -131.1 14.44 5.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.638 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.562 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -77.03 -47.4 20.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.487 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.7 t80 -59.84 -20.36 56.54 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.896 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -48.04 79.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.4 mt -57.31 -41.79 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.531 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.693 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.0 mt -60.81 -30.27 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.733 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 mmtp -77.79 -28.83 50.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -75.36 -34.71 61.18 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.483 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 6' ' ' ILE . 40.2 mt -61.56 -27.76 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -77.88 -34.32 51.64 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.474 . . . . 0.0 109.826 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.99 -15.91 59.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -77.26 -32.66 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.124 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 1.6 p90 -129.96 11.43 5.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.639 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.562 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 2' ' ' LEU . 7.6 tp -126.88 -32.72 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.661 0.267 . . . . 0.0 110.46 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -59.08 -36.92 75.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 109.778 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -48.0 -54.64 12.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.11 -43.11 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.648 ' HA ' HD12 ' A' ' 9' ' ' ILE . 7.1 mt -60.57 -30.03 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.685 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -79.67 -27.94 40.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -74.85 -34.21 62.25 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 6' ' ' ILE . 32.9 mt -63.16 -27.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.469 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -86.73 -51.52 6.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.33 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.39 -22.26 30.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -83.49 -36.33 24.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.699 ' CD1' ' N ' ' A' ' 14' ' ' NH2 . 0.2 OUTLIER -134.12 -49.97 0.81 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.198 179.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.699 ' N ' ' CD1' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.029 -1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -80.14 -62.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.648 0.261 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.477 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.1 t80 -51.72 -19.48 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.743 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -62.82 -49.05 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.9 -42.24 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.631 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.702 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.5 mt -60.88 -30.73 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.851 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 19.8 mmtp -77.65 -28.69 51.34 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -75.61 -34.49 60.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.041 -0.982 . . . . 0.0 108.567 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.7 mt -61.82 -27.7 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -76.74 -35.67 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.969 -1.468 . . . . 0.0 109.765 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -76.27 -15.98 59.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -76.43 -32.47 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.148 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 -130.41 12.0 5.42 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.678 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 2' ' ' LEU . 31.7 tp -89.84 -37.45 14.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.587 0.232 . . . . 0.0 110.786 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.42 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.6 t80 -62.95 -24.89 68.09 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.944 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 72.1 m-20 -57.93 -52.32 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -54.93 -43.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.872 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 9' ' ' ILE . 8.6 mt -60.21 -30.81 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.937 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -78.7 -26.64 44.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -77.24 -34.55 55.87 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 6' ' ' ILE . 38.9 mt -61.49 -27.98 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 14' ' ' NH2 . . . -76.74 -37.97 55.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.929 -1.487 . . . . 0.0 109.931 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.24 -15.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -76.49 -32.87 58.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.197 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' HG22 ' A' ' 9' ' ' ILE . 1.6 p90 -130.12 12.35 5.6 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.585 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--N 1.303 -1.437 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_