data_6dul_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 6dul _Structure_validation_residue.Date_analyzed 2019-06-21 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 ' 6' ' ' LEU . . . . . 0.498 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 17.3 mt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 121.551 0.691 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.73 76.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.3 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.92 -45.62 63.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -38.2 44.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.776 0.322 . . . . 0.0 110.269 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.59 -33.5 64.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.78 -41.38 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.158 179.469 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.405 0 CA-C-O 121.384 0.612 . . . . 0.0 109.668 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.67 76.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.6 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.11 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.866 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -71.67 -44.91 63.43 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.969 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.8 -37.52 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.128 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -51.3 -35.76 39.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 109.975 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -78.94 -36.45 41.66 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.874 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.02 -40.41 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.78 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.175 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 121.346 0.593 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.38 -32.34 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.739 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.99 91.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -45.73 59.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.028 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.4 74.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' ALA . 7.6 mttm -49.73 -35.51 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.211 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.512 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -70.75 -32.0 69.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.928 0.394 . . . . 0.0 110.119 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.95 -40.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.382 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.249 179.585 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.55 65.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.845 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.77 68.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.89 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -46.24 62.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.122 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.08 62.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.711 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -51.86 -33.76 37.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -78.72 -27.47 44.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.897 -179.356 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.51 -41.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.859 0.361 . . . . 0.0 110.526 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 -179.701 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.32 0.581 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.32 63.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.221 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.62 84.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.89 -47.01 41.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.736 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.4 -35.24 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.691 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -49.28 -39.76 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.059 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -70.32 -36.05 74.04 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.53 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 HG21 HD13 ' A' ' 13' ' ' ILE . 10.6 mm -75.57 -40.5 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.208 179.586 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.367 0.603 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.05 70.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.472 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.69 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.117 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -65.1 -45.02 86.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.379 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.3 64.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -41.57 64.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 110.223 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -74.71 -34.75 62.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 9' ' ' LEU . 10.9 mm -70.82 -38.84 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.053 179.437 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.237 0.422 0 CA-C-O 121.349 0.595 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.37 -31.5 65.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.68 85.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.87 -45.91 59.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -35.51 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.233 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -50.88 -33.38 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.626 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.538 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -78.36 -24.96 46.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.456 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -90.23 -39.16 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.865 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.144 179.679 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 121.451 0.643 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.01 -32.79 62.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.041 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.32 85.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.397 0.618 . . . . 0.0 109.58 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.95 -47.45 52.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.472 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.38 71.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.751 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' ALA . 6.0 mttp -50.52 -30.69 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -35.66 45.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.781 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 mm -87.02 -40.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.214 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.45 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.066 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.029 0.442 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.89 -38.73 70.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.67 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.914 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.19 -47.26 62.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.059 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.08 64.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.17 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.16 -33.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.13 -25.99 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.753 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.496 HD12 HG23 ' A' ' 13' ' ' ILE . 15.8 mm -83.95 -40.8 16.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.907 179.499 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.357 0.599 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.0 85.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.03 -46.88 55.4 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.656 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.2 79.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.802 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ALA . 24.9 tptp -48.76 -41.35 31.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.708 0.289 . . . . 0.0 111.478 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -77.76 -27.09 50.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.353 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mm -87.2 -40.23 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.604 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.781 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.432 ' H3 ' ' CD1' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.427 ' H ' ' CG1' ' A' ' 1' ' ' ILE . 0.0 OUTLIER -104.61 -174.48 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' CD1' ' H ' ' A' ' 3' ' ' LEU . 5.0 mp -66.17 -24.66 66.68 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.402 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -51.67 -47.38 63.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.135 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.55 80.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.799 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 17.3 mt -61.98 -43.16 99.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.551 0.691 . . . . 0.0 110.091 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.73 76.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.3 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.92 -45.62 63.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -38.2 44.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.776 0.322 . . . . 0.0 110.269 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.59 -33.5 64.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.78 -41.38 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.16 -49.12 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.158 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.431 ' CD1' ' H2 ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.429 ' OD1' ' HB2' ' A' ' 4' ' ' LYS . 2.7 p30 -101.74 -170.92 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.355 0.598 . . . . 0.0 111.076 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mp -64.06 -36.03 82.68 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.295 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 79.7 mttt -54.29 -48.1 71.66 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.9 -45.11 79.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.079 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -44.71 90.45 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.668 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.67 76.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.6 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.11 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.866 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pp -71.67 -44.91 63.43 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.969 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.8 -37.52 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.128 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -51.3 -35.76 39.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 109.975 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -78.94 -36.45 41.66 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.874 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.02 -40.41 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.78 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.79 45.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.175 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.444 0 O-C-N 119.707 -1.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.432 HG21 HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.508 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -88.79 -172.33 3.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.259 0.552 . . . . 0.0 110.594 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.92 -34.29 77.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.132 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -51.07 -46.26 61.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.524 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.14 90.98 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt -68.83 -38.44 79.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.537 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.38 -32.34 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.739 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.99 91.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.0 -45.73 59.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.028 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.4 74.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.101 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' ALA . 7.6 mttm -49.73 -35.51 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.211 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.512 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -70.75 -32.0 69.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.928 0.394 . . . . 0.0 110.119 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.95 -40.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.382 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp -70.6 -37.36 73.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.249 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.523 ' CG1' ' N ' ' A' ' 2' ' ' ASN . 1.8 tt . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.523 ' N ' ' CG1' ' A' ' 1' ' ' ILE . 3.2 p30 -70.32 -171.03 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.924 0.868 . . . . 0.0 112.078 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.542 ' CD1' ' H ' ' A' ' 3' ' ' LEU . 3.2 mp -57.8 -22.69 48.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.676 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -51.96 -37.81 54.28 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.935 -178.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -58.07 -43.36 86.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.656 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.45 -45.27 92.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.55 65.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.845 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.77 68.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.89 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -71.08 -46.24 62.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.122 179.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.08 62.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.711 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -51.86 -33.76 37.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -78.72 -27.47 44.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.897 -179.356 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.51 -41.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.859 0.361 . . . . 0.0 110.526 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.48 59.86 5.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.459 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.96 -172.83 2.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.144 0.497 . . . . 0.0 110.659 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -58.68 -29.48 66.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.919 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -53.77 -48.18 69.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.204 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.58 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.131 0.491 . . . . 0.0 109.901 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.36 -43.38 77.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . -55.96 -32.32 63.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.221 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.62 84.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.89 -47.01 41.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.736 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.4 -35.24 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.691 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -49.28 -39.76 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.059 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -70.32 -36.05 74.04 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.53 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 HG21 HD13 ' A' ' 13' ' ' ILE . 10.6 mm -75.57 -40.5 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -76.26 -43.5 41.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.208 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 119.802 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -107.66 -171.32 1.85 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.879 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.74 -33.42 75.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.583 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -54.72 -45.09 74.0 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.259 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -58.27 -44.34 88.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.02 -44.73 91.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.367 0.603 . . . . 0.0 109.611 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.05 70.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.472 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.69 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.117 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -65.1 -45.02 86.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.379 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.3 64.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -41.57 64.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 110.223 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -74.71 -34.75 62.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 9' ' ' LEU . 10.9 mm -70.82 -38.84 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.48 -15.02 47.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.053 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.867 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.596 ' CD1' ' H2 ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -79.73 -174.35 4.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 112.159 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mp -66.1 -25.95 67.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.787 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -45.63 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD11 ' A' ' 1' ' ' ILE . . . -68.5 -38.66 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.0 mt -67.73 -43.41 80.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.637 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.37 -31.5 65.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.68 85.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.87 -45.91 59.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -35.51 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.233 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -50.88 -33.38 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.626 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.538 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -78.36 -24.96 46.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.456 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -90.23 -39.16 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.865 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.39 49.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.144 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.505 HG12 ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.505 ' H ' HG12 ' A' ' 1' ' ' ILE . 0.4 OUTLIER -102.45 -171.67 2.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 111.211 -179.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mt -61.21 -41.1 96.26 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.393 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -53.72 -45.52 70.5 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.491 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.01 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.55 -38.85 77.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.164 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.01 -32.79 62.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.041 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.32 85.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.397 0.618 . . . . 0.0 109.58 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.95 -47.45 52.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.472 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.38 71.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.751 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' ALA . 6.0 mttp -50.52 -30.69 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -35.66 45.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.781 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 mm -87.02 -40.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.214 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mp -100.21 -89.62 0.33 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.066 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -107.71 -165.17 1.03 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.569 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt -57.64 -46.3 84.36 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.685 0.755 . . . . 0.0 110.459 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -55.51 -45.45 77.11 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.894 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -68.72 -43.61 75.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.576 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.22 -44.04 75.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.029 0.442 . . . . 0.0 110.103 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.89 -38.73 70.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.67 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.914 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 5' ' ' ALA . 5.2 mt -70.19 -47.26 62.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.059 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.08 64.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.17 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.16 -33.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.13 -25.99 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.753 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.496 HD12 HG23 ' A' ' 13' ' ' ILE . 15.8 mm -83.95 -40.8 16.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.02 -41.73 97.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.907 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.692 0 O-C-N 120.293 -1.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.555 ' H3 ' ' CD1' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' H ' HG12 ' A' ' 1' ' ' ILE . 6.5 m120 -108.28 -172.68 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.96 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' CD1' ' H ' ' A' ' 3' ' ' LEU . 5.2 mp -64.81 -24.26 67.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.53 0.681 . . . . 0.0 109.839 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -52.98 -42.12 65.23 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.376 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.27 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.691 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.38 -46.21 73.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.357 0.599 . . . . 0.0 109.594 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.0 85.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.03 -46.88 55.4 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.656 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.2 79.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.802 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ALA . 24.9 tptp -48.76 -41.35 31.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.708 0.289 . . . . 0.0 111.478 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -77.76 -27.09 50.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.353 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mm -87.2 -40.23 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.604 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mp -68.89 60.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.781 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 119.845 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 17.3 mt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 121.551 0.691 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.73 76.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.3 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.92 -45.62 63.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -38.2 44.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.776 0.322 . . . . 0.0 110.269 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.59 -33.5 64.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.78 -41.38 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.158 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.405 0 CA-C-O 121.384 0.612 . . . . 0.0 109.668 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.67 76.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.6 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . . . -65.97 -50.11 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.866 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.9 pp -71.67 -44.91 63.43 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.969 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.707 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -53.8 -37.52 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.128 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -51.3 -35.76 39.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 109.975 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -78.94 -36.45 41.66 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.874 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.02 -40.41 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.78 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.175 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 121.346 0.593 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.38 -32.34 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.739 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.99 91.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -72.0 -45.73 59.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.028 178.577 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -61.76 -33.4 74.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' ALA . 7.6 mttm -49.73 -35.51 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.211 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.554 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -70.75 -32.0 69.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.928 0.394 . . . . 0.0 110.119 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.95 -40.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.382 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.249 179.585 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.55 65.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.845 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.77 68.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.89 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.08 -46.24 62.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.122 179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.08 62.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.711 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -51.86 -33.76 37.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -78.72 -27.47 44.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.897 -179.356 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.51 -41.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.859 0.361 . . . . 0.0 110.526 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 14' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.32 0.581 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -55.96 -32.32 63.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.221 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.62 84.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.89 -47.01 41.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.736 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -60.4 -35.24 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.691 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -49.28 -39.76 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.059 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -70.32 -36.05 74.04 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.53 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.57 -40.5 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.208 179.586 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.367 0.603 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.05 70.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.472 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.69 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.117 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -65.1 -45.02 86.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.379 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.3 64.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -41.57 64.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 110.223 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -74.71 -34.75 62.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 9' ' ' LEU . 10.9 mm -70.82 -38.84 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.053 179.437 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.237 0.422 0 CA-C-O 121.349 0.595 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -57.37 -31.5 65.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.68 85.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.87 -45.91 59.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.55 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.93 -35.51 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.233 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -50.88 -33.38 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.626 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -78.36 -24.96 46.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.456 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -90.23 -39.16 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.865 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.1 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.144 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 121.451 0.643 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.01 -32.79 62.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.041 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.32 85.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.397 0.618 . . . . 0.0 109.58 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.95 -47.45 52.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.472 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -58.64 -34.38 71.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' ALA . 6.0 mttp -50.52 -30.69 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -78.54 -35.66 45.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.781 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 mm -87.02 -40.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.214 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 14' ' ' LEU . 9.8 mp . . . . . 0 N--CA 1.45 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.066 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.029 0.442 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.89 -38.73 70.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.67 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.914 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 5.2 mt -70.19 -47.26 62.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.059 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.08 64.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.17 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.16 -33.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.13 -25.99 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.753 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mm -83.95 -40.8 16.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.907 179.499 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.357 0.599 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.0 85.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -72.03 -46.88 55.4 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.656 179.089 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -63.51 -35.2 79.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.802 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ALA . 24.9 tptp -48.76 -41.35 31.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.708 0.289 . . . . 0.0 111.478 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.454 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -77.76 -27.09 50.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.353 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mm -87.2 -40.23 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.604 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.7 mp . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.781 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.61 -174.48 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.808 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.0 mp -66.17 -24.66 66.68 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.402 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -51.67 -47.38 63.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.135 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' CB ' HD11 ' A' ' 1' ' ' ILE . . . -66.23 -45.55 80.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.799 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 17.3 mt -61.98 -43.16 99.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.551 0.691 . . . . 0.0 110.091 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.73 76.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.3 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.92 -45.62 63.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -38.2 44.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.776 0.322 . . . . 0.0 110.269 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.59 -33.5 64.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.78 -41.38 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? -68.16 -49.12 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.158 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.528 ' CG1' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.695 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.7 p30 -101.74 -170.92 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.355 0.598 . . . . 0.0 111.076 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' H ' HD12 ' A' ' 3' ' ' LEU . 3.4 mp -64.06 -36.03 82.68 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.295 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 79.7 mttt -54.29 -48.1 71.66 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 1' ' ' ILE . . . -66.9 -45.11 79.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.079 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -58.71 -44.71 90.45 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.668 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.67 76.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.6 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . . . -65.97 -50.11 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.866 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.9 pp -71.67 -44.91 63.43 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.969 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.707 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -53.8 -37.52 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.128 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -51.3 -35.76 39.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 109.975 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -78.94 -36.45 41.66 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.874 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 11.5 mm -78.02 -40.41 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.78 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.79 45.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.175 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.303 -1.444 0 O-C-N 119.707 -1.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.536 ' H1 ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -172.33 3.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.259 0.552 . . . . 0.0 110.594 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.92 -34.29 77.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.132 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -51.07 -46.26 61.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.524 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.14 90.98 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt -68.83 -38.44 79.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.537 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.38 -32.34 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.739 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.99 91.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -72.0 -45.73 59.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.028 178.577 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -61.76 -33.4 74.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' ALA . 7.6 mttm -49.73 -35.51 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.211 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.554 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -70.75 -32.0 69.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.928 0.394 . . . . 0.0 110.119 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.95 -40.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.382 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp -70.6 -37.36 73.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.249 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.523 ' CG1' ' N ' ' A' ' 2' ' ' ASN . 1.8 tt . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.523 ' N ' ' CG1' ' A' ' 1' ' ' ILE . 3.2 p30 -70.32 -171.03 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.924 0.868 . . . . 0.0 112.078 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.922 ' H ' HD12 ' A' ' 3' ' ' LEU . 3.2 mp -57.8 -22.69 48.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.676 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -51.96 -37.81 54.28 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.935 -178.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -58.07 -43.36 86.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.656 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.45 -45.27 92.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.55 65.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.845 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . -68.53 -46.77 68.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.89 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.08 -46.24 62.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.122 179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.08 62.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.711 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -51.86 -33.76 37.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -78.72 -27.47 44.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.897 -179.356 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.51 -41.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.859 0.361 . . . . 0.0 110.526 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 14' ' ' LEU . 10.9 mp -84.48 59.86 5.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.459 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.96 -172.83 2.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.144 0.497 . . . . 0.0 110.659 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -58.68 -29.48 66.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.919 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -53.77 -48.18 69.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.204 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.58 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.131 0.491 . . . . 0.0 109.901 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.36 -43.38 77.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -55.96 -32.32 63.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.221 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.62 84.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.89 -47.01 41.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.736 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -60.4 -35.24 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.691 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -49.28 -39.76 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.059 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -70.32 -36.05 74.04 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.53 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.57 -40.5 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -76.26 -43.5 41.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.208 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 119.802 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -107.66 -171.32 1.85 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.879 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.614 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.5 mp -65.74 -33.42 75.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.583 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -54.72 -45.09 74.0 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.259 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -58.27 -44.34 88.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.02 -44.73 91.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.367 0.603 . . . . 0.0 109.611 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.05 70.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.472 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . -61.3 -44.69 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.117 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -65.1 -45.02 86.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.379 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.3 64.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -41.57 64.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 110.223 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -74.71 -34.75 62.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 9' ' ' LEU . 10.9 mm -70.82 -38.84 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.48 -15.02 47.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.053 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.867 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.603 HD11 ' CB ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -79.73 -174.35 4.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 112.159 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.718 ' H ' HD12 ' A' ' 3' ' ' LEU . 2.6 mp -66.1 -25.95 67.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.787 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -45.63 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.603 ' CB ' HD11 ' A' ' 1' ' ' ILE . . . -68.5 -38.66 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 3' ' ' LEU . 45.0 mt -67.73 -43.41 80.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.637 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -57.37 -31.5 65.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.68 85.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.87 -45.91 59.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.55 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.93 -35.51 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.233 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -50.88 -33.38 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.626 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -78.36 -24.96 46.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.456 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 12.5 mm -90.23 -39.16 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.865 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.1 mp -67.39 49.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.144 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.488 HG12 ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.488 ' H ' HG12 ' A' ' 1' ' ' ILE . 0.4 OUTLIER -102.45 -171.67 2.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 111.211 -179.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' ALA . 4.6 mt -61.21 -41.1 96.26 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.393 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -53.72 -45.52 70.5 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.491 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.01 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.55 -38.85 77.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.164 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.01 -32.79 62.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.041 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.32 85.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.397 0.618 . . . . 0.0 109.58 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.95 -47.45 52.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.472 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -58.64 -34.38 71.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' ALA . 6.0 mttp -50.52 -30.69 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -78.54 -35.66 45.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.781 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 mm -87.02 -40.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.214 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 14' ' ' LEU . 9.8 mp -100.21 -89.62 0.33 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.066 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.71 -165.17 1.03 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.569 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' HA ' HD12 ' A' ' 6' ' ' LEU . 1.6 mt -57.64 -46.3 84.36 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.685 0.755 . . . . 0.0 110.459 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -55.51 -45.45 77.11 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.894 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -68.72 -43.61 75.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.576 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 3' ' ' LEU . 30.4 mt -55.22 -44.04 75.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.029 0.442 . . . . 0.0 110.103 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.89 -38.73 70.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . -60.23 -45.67 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.914 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 5' ' ' ALA . 5.2 mt -70.19 -47.26 62.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.059 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.08 64.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.17 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.16 -33.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.13 -25.99 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.753 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mm -83.95 -40.8 16.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.02 -41.73 97.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.907 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.692 0 O-C-N 120.293 -1.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.424 HG12 ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.424 ' H ' HG12 ' A' ' 1' ' ' ILE . 27.6 m-20 -108.28 -172.68 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.96 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.836 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.2 mp -64.81 -24.26 67.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.53 0.681 . . . . 0.0 109.839 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -52.98 -42.12 65.23 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.376 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.27 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.691 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.38 -46.21 73.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.357 0.599 . . . . 0.0 109.594 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.0 85.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -72.03 -46.88 55.4 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.656 179.089 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -63.51 -35.2 79.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.802 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ALA . 24.9 tptp -48.76 -41.35 31.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.708 0.289 . . . . 0.0 111.478 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -77.76 -27.09 50.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.353 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mm -87.2 -40.23 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.604 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.7 mp -68.89 60.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.781 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 119.845 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 17.3 mt . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 121.551 0.691 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.73 76.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.3 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.92 -45.62 63.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -38.2 44.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.776 0.322 . . . . 0.0 110.269 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.59 -33.5 64.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.78 -41.38 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.158 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.405 0 CA-C-O 121.384 0.612 . . . . 0.0 109.668 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.67 76.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.6 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . . . -65.97 -50.11 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.866 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.9 pp -71.67 -44.91 63.43 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.969 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.707 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -53.8 -37.52 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.128 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -51.3 -35.76 39.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 109.975 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -78.94 -36.45 41.66 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.874 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.5 mm -78.02 -40.41 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.78 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.175 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 121.346 0.593 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.38 -32.34 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.739 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.99 91.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -72.0 -45.73 59.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.028 178.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -61.76 -33.4 74.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' ALA . 7.6 mttm -49.73 -35.51 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.211 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.554 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -70.75 -32.0 69.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.928 0.394 . . . . 0.0 110.119 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.95 -40.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.382 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.249 179.585 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.55 65.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.845 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.53 -46.77 68.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.89 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.08 -46.24 62.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.122 179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.08 62.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.711 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -51.86 -33.76 37.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -78.72 -27.47 44.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.897 -179.356 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.51 -41.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.859 0.361 . . . . 0.0 110.526 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 14' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.32 0.581 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -55.96 -32.32 63.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.221 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.62 84.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.89 -47.01 41.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.736 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -60.4 -35.24 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.691 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -49.28 -39.76 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.059 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -70.32 -36.05 74.04 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.53 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.57 -40.5 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.208 179.586 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.367 0.603 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.05 70.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.472 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.69 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.117 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -65.1 -45.02 86.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.379 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.3 64.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -41.57 64.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 110.223 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -74.71 -34.75 62.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 9' ' ' LEU . 10.9 mm -70.82 -38.84 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.053 179.437 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.237 0.422 0 CA-C-O 121.349 0.595 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -57.37 -31.5 65.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.68 85.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.87 -45.91 59.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.55 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.93 -35.51 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.233 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -50.88 -33.38 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.626 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -78.36 -24.96 46.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.456 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -90.23 -39.16 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.865 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.1 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.144 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 121.451 0.643 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.01 -32.79 62.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.041 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.32 85.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.397 0.618 . . . . 0.0 109.58 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.95 -47.45 52.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.472 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -58.64 -34.38 71.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' ALA . 6.0 mttp -50.52 -30.69 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -78.54 -35.66 45.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.781 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 mm -87.02 -40.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.214 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 14' ' ' LEU . 9.8 mp . . . . . 0 N--CA 1.45 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.066 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.029 0.442 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.89 -38.73 70.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.67 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.914 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 5.2 mt -70.19 -47.26 62.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.059 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.08 64.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.17 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.16 -33.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.13 -25.99 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.753 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mm -83.95 -40.8 16.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.907 179.499 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.357 0.599 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.0 85.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -72.03 -46.88 55.4 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.656 179.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -63.51 -35.2 79.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.802 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ALA . 24.9 tptp -48.76 -41.35 31.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.708 0.289 . . . . 0.0 111.478 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.454 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -77.76 -27.09 50.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.353 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mm -87.2 -40.23 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.604 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.7 mp . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.781 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -104.61 -174.48 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.808 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.0 mp -66.17 -24.66 66.68 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.402 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mmtm -51.67 -47.38 63.85 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.135 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' CB ' HD11 ' A' ' 1' ' ' ILE . . . -66.23 -45.55 80.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.799 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 17.3 mt -61.98 -43.16 99.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.551 0.691 . . . . 0.0 110.091 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.73 76.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.3 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.553 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.92 -45.62 63.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.262 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -38.2 44.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.776 0.322 . . . . 0.0 110.269 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.556 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.59 -33.5 64.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.508 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.78 -41.38 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? -68.16 -49.12 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.158 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.528 ' CG1' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.695 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.7 p30 -101.74 -170.92 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.355 0.598 . . . . 0.0 111.076 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' H ' HD12 ' A' ' 3' ' ' LEU . 3.4 mp -64.06 -36.03 82.68 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.295 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 79.7 mttt -54.29 -48.1 71.66 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 1' ' ' ILE . . . -66.9 -45.11 79.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.079 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 2' ' ' ASN . 0.2 OUTLIER -58.71 -44.71 90.45 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.668 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -33.67 76.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.6 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' O ' ' NZ ' ' A' ' 12' ' ' LYS . . . -65.97 -50.11 65.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.866 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 10' ' ' ALA . 1.9 pp -71.67 -44.91 63.43 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.969 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.707 ' N ' HD12 ' A' ' 9' ' ' LEU . . . -53.8 -37.52 63.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.128 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -51.3 -35.76 39.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 109.975 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -78.94 -36.45 41.66 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.874 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 11.5 mm -78.02 -40.41 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.78 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.79 45.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.175 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . 0.4 ' N ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.303 -1.444 0 O-C-N 119.707 -1.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.536 ' H1 ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.508 ' N ' ' ND2' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -88.79 -172.33 3.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.259 0.552 . . . . 0.0 110.594 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.92 -34.29 77.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.132 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -51.07 -46.26 61.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.524 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.14 90.98 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt -68.83 -38.44 79.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.537 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.38 -32.34 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.739 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.99 91.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -72.0 -45.73 59.85 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.028 178.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -61.76 -33.4 74.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.101 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' ALA . 7.6 mttm -49.73 -35.51 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.211 -178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.554 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -70.75 -32.0 69.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.928 0.394 . . . . 0.0 110.119 179.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.95 -40.54 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.382 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp -70.6 -37.36 73.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.249 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.523 ' CG1' ' N ' ' A' ' 2' ' ' ASN . 1.8 tt . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.523 ' N ' ' CG1' ' A' ' 1' ' ' ILE . 3.2 p30 -70.32 -171.03 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.924 0.868 . . . . 0.0 112.078 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.922 ' H ' HD12 ' A' ' 3' ' ' LEU . 3.2 mp -57.8 -22.69 48.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.676 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -51.96 -37.81 54.28 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.935 -178.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -58.07 -43.36 86.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.656 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.45 -45.27 92.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.55 65.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.845 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . -68.53 -46.77 68.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.89 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.08 -46.24 62.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.122 179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.08 62.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.711 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -51.86 -33.76 37.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -78.72 -27.47 44.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.897 -179.356 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -89.51 -41.14 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.859 0.361 . . . . 0.0 110.526 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 14' ' ' LEU . 10.9 mp -84.48 59.86 5.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.063 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.459 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.96 -172.83 2.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.144 0.497 . . . . 0.0 110.659 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' ALA . 1.1 mp -58.68 -29.48 66.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.919 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -53.77 -48.18 69.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.204 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.58 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.131 0.491 . . . . 0.0 109.901 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -68.36 -43.38 77.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.259 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -55.96 -32.32 63.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.221 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -47.62 84.0 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.89 -47.01 41.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.736 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -60.4 -35.24 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.691 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -49.28 -39.76 31.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.059 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -70.32 -36.05 74.04 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.53 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 mm -75.57 -40.5 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mp -76.26 -43.5 41.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.208 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 119.802 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -107.66 -171.32 1.85 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.879 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.614 ' H ' HD12 ' A' ' 3' ' ' LEU . 6.5 mp -65.74 -33.42 75.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.583 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -54.72 -45.09 74.0 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.259 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -58.27 -44.34 88.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.02 -44.73 91.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.367 0.603 . . . . 0.0 109.611 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.05 70.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.472 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . -61.3 -44.69 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.117 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -65.1 -45.02 86.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.379 179.459 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.3 64.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.73 -41.57 64.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 110.223 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -74.71 -34.75 62.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 9' ' ' LEU . 10.9 mm -70.82 -38.84 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.48 -15.02 47.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.053 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.867 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.603 HD11 ' CB ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER -79.73 -174.35 4.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 112.159 -179.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.718 ' H ' HD12 ' A' ' 3' ' ' LEU . 2.6 mp -66.1 -25.95 67.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.787 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -45.63 69.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.643 -178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.603 ' CB ' HD11 ' A' ' 1' ' ' ILE . . . -68.5 -38.66 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.037 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 3' ' ' LEU . 45.0 mt -67.73 -43.41 80.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.637 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . . . -57.37 -31.5 65.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.68 85.55 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.87 -45.91 59.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.55 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.93 -35.51 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.233 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -50.88 -33.38 23.83 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.626 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -78.36 -24.96 46.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.456 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' NH2 . 12.5 mm -90.23 -39.16 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.865 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.1 mp -67.39 49.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.144 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.488 HG12 ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.488 ' H ' HG12 ' A' ' 1' ' ' ILE . 0.4 OUTLIER -102.45 -171.67 2.0 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 111.211 -179.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' ALA . 4.6 mt -61.21 -41.1 96.26 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.393 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -53.72 -45.52 70.5 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.491 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.01 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.55 -38.85 77.64 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.164 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -55.01 -32.79 62.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.041 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.32 85.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.397 0.618 . . . . 0.0 109.58 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.95 -47.45 52.3 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.472 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 7' ' ' ALA . . . -58.64 -34.38 71.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' ALA . 6.0 mttp -50.52 -30.69 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.39 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -78.54 -35.66 45.78 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.781 -179.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 mm -87.02 -40.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.214 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 14' ' ' LEU . 9.8 mp -100.21 -89.62 0.33 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.066 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -107.71 -165.17 1.03 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.569 -178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' HA ' HD12 ' A' ' 6' ' ' LEU . 1.6 mt -57.64 -46.3 84.36 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.685 0.755 . . . . 0.0 110.459 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -55.51 -45.45 77.11 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.894 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -68.72 -43.61 75.63 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.576 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 3' ' ' LEU . 30.4 mt -55.22 -44.04 75.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.029 0.442 . . . . 0.0 110.103 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.89 -38.73 70.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.701 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . -60.23 -45.67 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.914 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 5' ' ' ALA . 5.2 mt -70.19 -47.26 62.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.059 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.08 64.5 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.17 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.16 -33.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 0.0 110.611 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.13 -25.99 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.753 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 mm -83.95 -40.8 16.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.02 -41.73 97.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.907 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.692 0 O-C-N 120.293 -1.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.424 HG12 ' H ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.424 ' H ' HG12 ' A' ' 1' ' ' ILE . 6.5 m120 -108.28 -172.68 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.96 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.836 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.2 mp -64.81 -24.26 67.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.53 0.681 . . . . 0.0 109.839 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -52.98 -42.12 65.23 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.376 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.27 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.691 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.38 -46.21 73.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.357 0.599 . . . . 0.0 109.594 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -56.82 -34.98 68.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.284 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.0 85.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -72.03 -46.88 55.4 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.656 179.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -63.51 -35.2 79.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.802 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' ALA . 24.9 tptp -48.76 -41.35 31.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.708 0.289 . . . . 0.0 111.478 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' H ' ' HD3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -77.76 -27.09 50.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.353 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.6 mm -87.2 -40.23 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.604 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 ' HB1' ' A' ' 10' ' ' ALA . 8.7 mp -68.89 60.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.781 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 119.845 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_