data_2jpx_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jpx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.07 77.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.7 -46.04 66.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.96 -46.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.78 -33.99 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.67 66.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.95 57.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -40.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.25 -34.04 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.535 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.03 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.05 -45.7 88.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.42 -33.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.41 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.01 -33.99 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.99 -42.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.22 -33.99 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.497 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.03 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.0 66.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.57 -34.01 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.93 -34.07 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.92 -45.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.521 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.6 -46.06 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.4 -34.05 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.59 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -41.38 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -34.01 55.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.491 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -46.04 66.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.96 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.25 -34.02 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.39 67.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.05 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.91 -42.68 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.556 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.21 -34.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.436 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.06 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.5 -34.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.54 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.531 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.05 -33.99 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -65.46 -45.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.89 -46.03 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.478 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.05 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.02 66.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.481 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.74 -45.94 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.7 -33.94 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.498 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.59 66.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.04 58.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -41.31 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -33.99 55.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.487 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.09 77.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -45.99 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.526 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.75 -45.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.59 -34.04 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.64 67.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.94 -34.07 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.48 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -41.4 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.482 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.99 -34.01 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.491 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.01 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.24 75.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.99 -46.0 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.59 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.04 -45.96 66.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.7 -45.98 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.511 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.63 -33.97 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.64 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.97 -34.03 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.492 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.94 -41.35 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.3 -34.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.547 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.01 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.9 75.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.552 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.21 -45.95 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.78 -45.98 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.99 77.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.05 -45.95 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.03 -45.96 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.63 -33.98 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.21 67.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.02 -42.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.19 -33.96 52.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.554 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.0 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.81 -46.05 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.03 77.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.94 -45.82 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.98 87.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.1 -34.0 67.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -44.75 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.05 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -44.1 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.3 -33.9 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.449 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.17 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.01 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.98 -45.98 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.04 77.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.04 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.04 -45.97 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.75 -34.01 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.16 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.07 -33.99 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -43.36 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.92 -34.02 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.563 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.69 -46.03 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.19 -45.96 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.03 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.02 -45.99 66.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.02 -46.01 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.48 -33.98 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.07 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.03 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.527 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -43.96 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.5 -33.99 49.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.462 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.534 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.08 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.39 -45.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.8 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.96 76.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.98 -46.11 65.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.67 -46.05 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.518 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -69.95 -34.02 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.43 67.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -33.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.04 -39.17 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.469 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.92 -34.03 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.64 -46.02 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.08 -46.02 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.01 77.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.549 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.02 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -69.92 -34.08 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -70.02 -45.98 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.467 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.96 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.05 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -43.35 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.95 -33.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.07 77.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.7 -46.04 66.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.96 -46.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.78 -33.99 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.67 66.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.95 57.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -40.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.25 -34.04 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.92 -36.22 75.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.6 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.99 -46.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.48 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -58.02 -39.76 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.77 -43.62 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -39.41 78.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.09 -33.99 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.482 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -67.32 -41.06 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.62 -46.01 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.03 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.05 -45.7 88.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.42 -33.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.41 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.01 -33.99 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.99 -42.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.22 -33.99 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.497 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.03 -34.02 72.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -69.55 -45.95 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.07 -46.02 79.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.51 -46.0 90.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.12 -46.0 90.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.94 -37.49 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -69.99 -41.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -68.15 -46.03 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.632 -0.713 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.03 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.0 66.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.57 -34.01 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.93 -34.07 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.92 -45.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -46.03 65.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.96 -40.44 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -69.96 -46.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.487 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.42 -34.03 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.96 -46.02 66.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.507 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.94 -35.77 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.0 -40.14 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.97 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.6 -46.06 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.4 -34.05 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.59 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -41.38 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -34.01 55.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -35.38 74.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.491 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.99 -43.52 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.34 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -67.55 -45.57 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.544 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.4 -44.39 96.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.51 76.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.82 -34.0 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.72 -41.14 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.444 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.65 -45.99 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -46.04 66.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.96 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.25 -34.02 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.39 67.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.05 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.91 -42.68 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.556 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.21 -34.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -34.01 72.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.436 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -43.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.471 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -61.06 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -68.67 -45.95 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.491 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -60.69 -45.98 92.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -38.28 75.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.36 -34.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.96 -42.98 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.66 -45.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.06 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.5 -34.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.54 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.531 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.05 -33.99 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -65.46 -45.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.498 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.89 -46.03 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.97 -46.02 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.478 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.04 -40.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -69.99 -46.02 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.493 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.44 -34.0 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.97 -46.03 66.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.519 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.97 -35.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.98 -36.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.5 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -70.01 -34.01 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.629 -0.714 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.05 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.02 66.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.481 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.74 -45.94 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.7 -33.94 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.498 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.59 66.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.04 58.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -41.31 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -33.99 55.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.95 -43.57 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.47 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.514 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -61.6 -42.24 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.31 -44.41 96.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.52 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.84 -33.95 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.74 -41.12 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.7 -46.02 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.591 -0.732 . . . . 0.0 . 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.09 77.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -45.99 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.526 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.75 -45.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.59 -34.04 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.64 67.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.94 -34.07 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.48 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -41.4 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.482 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.99 -34.01 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.491 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.91 -43.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.38 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.46 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -64.5 -43.79 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.38 -44.46 96.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.01 -38.47 76.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.514 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.81 -34.03 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.63 -41.21 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.68 -46.01 83.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.452 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.01 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.24 75.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.99 -46.0 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.59 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.04 -45.96 66.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.7 -45.98 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.511 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.63 -33.97 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.64 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.97 -34.03 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.492 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.94 -41.35 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.3 -34.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.99 -36.05 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.58 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.79 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -58.02 -39.94 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.53 -44.16 97.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.458 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.96 -38.53 76.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.518 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.83 -33.98 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.69 -41.15 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.64 -45.99 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.599 -0.728 . . . . 0.0 . 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.01 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.9 75.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.552 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.21 -45.95 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.78 -45.98 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.99 77.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.05 -45.95 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.03 -45.96 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.63 -33.98 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.21 67.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.02 -42.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.19 -33.96 52.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.04 -44.18 78.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -70.0 -45.95 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.499 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -57.97 -45.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.54 -38.5 87.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.04 -38.42 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.34 -34.02 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.539 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.01 -40.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.58 -46.02 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.544 -0.753 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.0 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.81 -46.05 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.03 77.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.94 -45.82 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.98 87.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.1 -34.0 67.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -44.75 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.05 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -44.1 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.3 -33.9 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -67.34 -34.04 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.449 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -68.48 -45.97 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.16 -46.01 78.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -57.95 -46.08 85.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.03 -45.94 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.518 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.02 -40.04 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.02 -41.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -68.83 -45.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 . -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.17 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.01 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.98 -45.98 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.04 77.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.04 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.04 -45.97 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.75 -34.01 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.16 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.07 -33.99 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -43.36 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.92 -34.02 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -68.42 -33.98 75.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.0 -33.95 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -70.07 -42.92 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.477 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.26 -46.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.495 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.02 -45.94 89.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.09 -37.52 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.31 -34.03 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.469 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.94 -42.23 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -65.88 -46.06 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.716 . . . . 0.0 . -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.69 -46.03 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.19 -45.96 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.03 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.02 -45.99 66.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.02 -46.01 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.48 -33.98 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.07 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.03 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.527 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -43.96 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.5 -33.99 49.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.462 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.52 -34.0 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.475 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -69.97 -45.96 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -68.82 -46.01 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.5 -45.99 90.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.02 -37.74 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.22 -34.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.96 -41.93 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -66.92 -45.98 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.08 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.39 -45.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.8 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.96 76.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.98 -46.11 65.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.67 -46.05 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.518 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -69.95 -34.02 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.43 67.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -33.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.04 -39.17 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.469 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.92 -34.03 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.96 -38.37 76.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.493 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -43.74 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -64.97 -46.07 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.519 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -57.96 -38.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.0 -38.57 88.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.509 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.15 -33.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.475 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.05 -40.42 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.62 -45.99 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 0.0 . 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.64 -46.02 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.08 -46.02 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.01 77.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.549 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.02 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -69.92 -34.08 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -70.02 -45.98 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.467 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.96 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.05 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -43.35 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.95 -33.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.24 -34.06 74.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.503 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -60.54 -45.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.511 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.93 -46.09 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -60.28 -45.98 91.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.2 75.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.39 -34.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.95 -42.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.29 -45.97 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.07 77.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.7 -46.04 66.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.96 -46.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.78 -33.99 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.67 66.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.95 57.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -40.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.25 -34.04 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.535 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.03 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.05 -45.7 88.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.42 -33.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.41 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.01 -33.99 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.99 -42.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.22 -33.99 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.497 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.03 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.0 66.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.57 -34.01 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.93 -34.07 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.92 -45.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.521 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.6 -46.06 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.4 -34.05 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.59 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -41.38 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -34.01 55.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.491 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -46.04 66.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.96 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.25 -34.02 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.39 67.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.05 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.91 -42.68 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.556 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.21 -34.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.436 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.06 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.5 -34.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.54 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.531 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.05 -33.99 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -65.46 -45.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.89 -46.03 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.478 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.05 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.02 66.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.481 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.74 -45.94 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.7 -33.94 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.498 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.59 66.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.04 58.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -41.31 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -33.99 55.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.487 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.09 77.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -45.99 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.526 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.75 -45.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.59 -34.04 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.64 67.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.94 -34.07 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.48 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -41.4 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.482 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.99 -34.01 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.491 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.01 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.24 75.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.99 -46.0 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.59 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.04 -45.96 66.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.7 -45.98 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.511 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.63 -33.97 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.64 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.97 -34.03 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.492 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.94 -41.35 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.3 -34.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.547 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.01 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.9 75.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.552 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.21 -45.95 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.78 -45.98 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.99 77.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.05 -45.95 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.03 -45.96 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.63 -33.98 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.21 67.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.02 -42.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.19 -33.96 52.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.554 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.0 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.81 -46.05 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.03 77.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.94 -45.82 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.98 87.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.1 -34.0 67.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -44.75 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.05 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -44.1 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.3 -33.9 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.449 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.17 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.01 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.98 -45.98 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.04 77.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.04 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.04 -45.97 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.75 -34.01 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.16 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.07 -33.99 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -43.36 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.92 -34.02 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.563 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.69 -46.03 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.19 -45.96 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.03 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.02 -45.99 66.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.02 -46.01 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.48 -33.98 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.07 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.03 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.527 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -43.96 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.5 -33.99 49.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.462 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.534 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.08 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.39 -45.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.8 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.96 76.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.98 -46.11 65.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.67 -46.05 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.518 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -69.95 -34.02 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.43 67.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -33.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.04 -39.17 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.469 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.92 -34.03 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.64 -46.02 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.08 -46.02 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.01 77.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.549 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.02 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -69.92 -34.08 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -70.02 -45.98 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.467 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.96 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.05 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -43.35 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.95 -33.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.07 77.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.7 -46.04 66.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.96 -46.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.78 -33.99 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.67 66.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.95 57.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -40.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.25 -34.04 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.92 -36.22 75.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.6 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.99 -46.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.48 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -58.02 -39.76 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.77 -43.62 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -39.41 78.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.09 -33.99 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.482 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -67.32 -41.06 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.62 -46.01 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.03 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.05 -45.7 88.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.42 -33.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.41 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.01 -33.99 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.99 -42.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.22 -33.99 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.497 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.03 -34.02 72.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -69.55 -45.95 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.07 -46.02 79.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.51 -46.0 90.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.12 -46.0 90.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.94 -37.49 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -69.99 -41.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -68.15 -46.03 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.632 -0.713 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.03 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.0 66.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.57 -34.01 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.93 -34.07 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.92 -45.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -46.03 65.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.96 -40.44 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -69.96 -46.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.487 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.42 -34.03 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.96 -46.02 66.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.507 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.94 -35.77 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.0 -40.14 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.97 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.6 -46.06 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.4 -34.05 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.59 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -41.38 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -34.01 55.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -35.38 74.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.491 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.99 -43.52 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.34 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -67.55 -45.57 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.544 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.4 -44.39 96.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.51 76.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.82 -34.0 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.72 -41.14 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.444 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.65 -45.99 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -46.04 66.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.96 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.25 -34.02 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.39 67.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.05 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.91 -42.68 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.556 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.21 -34.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -34.01 72.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.436 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -43.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.471 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -61.06 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -68.67 -45.95 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.491 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -60.69 -45.98 92.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -38.28 75.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.36 -34.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.96 -42.98 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.66 -45.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.06 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.5 -34.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.54 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.531 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.05 -33.99 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -65.46 -45.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.498 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.89 -46.03 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.97 -46.02 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.478 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.04 -40.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -69.99 -46.02 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.493 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.44 -34.0 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.97 -46.03 66.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.519 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.97 -35.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.98 -36.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.5 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -70.01 -34.01 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.629 -0.714 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.05 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.02 66.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.481 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.74 -45.94 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.7 -33.94 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.498 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.59 66.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.04 58.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -41.31 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -33.99 55.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.95 -43.57 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.47 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.514 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -61.6 -42.24 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.31 -44.41 96.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.52 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.84 -33.95 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.74 -41.12 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.7 -46.02 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.591 -0.732 . . . . 0.0 . 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.09 77.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -45.99 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.526 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.75 -45.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.59 -34.04 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.64 67.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.94 -34.07 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.48 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -41.4 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.482 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.99 -34.01 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.491 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.91 -43.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.38 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.46 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -64.5 -43.79 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.38 -44.46 96.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.01 -38.47 76.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.514 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.81 -34.03 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.63 -41.21 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.68 -46.01 83.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.452 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.01 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.24 75.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.99 -46.0 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.59 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.04 -45.96 66.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.7 -45.98 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.511 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.63 -33.97 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.64 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.97 -34.03 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.492 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.94 -41.35 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.3 -34.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.99 -36.05 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.58 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.79 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -58.02 -39.94 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.53 -44.16 97.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.458 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.96 -38.53 76.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.518 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.83 -33.98 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.69 -41.15 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.64 -45.99 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.599 -0.728 . . . . 0.0 . 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.01 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.9 75.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.552 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.21 -45.95 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.78 -45.98 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.99 77.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.05 -45.95 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.03 -45.96 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.63 -33.98 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.21 67.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.02 -42.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.19 -33.96 52.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.04 -44.18 78.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -70.0 -45.95 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.499 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -57.97 -45.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.54 -38.5 87.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.04 -38.42 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.34 -34.02 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.539 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.01 -40.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.58 -46.02 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.544 -0.753 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.0 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.81 -46.05 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.03 77.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.94 -45.82 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.98 87.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.1 -34.0 67.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -44.75 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.05 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -44.1 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.3 -33.9 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -67.34 -34.04 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.449 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -68.48 -45.97 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.16 -46.01 78.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -57.95 -46.08 85.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.03 -45.94 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.518 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.02 -40.04 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.02 -41.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -68.83 -45.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 . -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.17 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.01 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.98 -45.98 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.04 77.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.04 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.04 -45.97 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.75 -34.01 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.16 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.07 -33.99 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -43.36 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.92 -34.02 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -68.42 -33.98 75.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.0 -33.95 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -70.07 -42.92 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.477 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.26 -46.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.495 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.02 -45.94 89.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.09 -37.52 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.31 -34.03 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.469 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.94 -42.23 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -65.88 -46.06 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.716 . . . . 0.0 . -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.69 -46.03 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.19 -45.96 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.03 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.02 -45.99 66.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.02 -46.01 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.48 -33.98 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.07 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.03 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.527 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -43.96 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.5 -33.99 49.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.462 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.52 -34.0 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.475 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -69.97 -45.96 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -68.82 -46.01 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.5 -45.99 90.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.02 -37.74 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.22 -34.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.96 -41.93 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -66.92 -45.98 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.08 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.39 -45.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.8 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.96 76.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.98 -46.11 65.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.67 -46.05 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.518 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -69.95 -34.02 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.43 67.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -33.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.04 -39.17 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.469 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.92 -34.03 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.96 -38.37 76.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.493 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -43.74 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -64.97 -46.07 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.519 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -57.96 -38.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.0 -38.57 88.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.509 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.15 -33.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.475 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.05 -40.42 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.62 -45.99 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 0.0 . 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.64 -46.02 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.08 -46.02 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.01 77.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.549 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.02 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -69.92 -34.08 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -70.02 -45.98 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.467 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.96 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.05 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -43.35 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.95 -33.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.24 -34.06 74.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.503 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -60.54 -45.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.511 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.93 -46.09 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -60.28 -45.98 91.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.2 75.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.39 -34.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.95 -42.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.29 -45.97 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.07 77.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.7 -46.04 66.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.96 -46.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.78 -33.99 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.67 66.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.95 57.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -40.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.25 -34.04 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.535 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.03 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.05 -45.7 88.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.42 -33.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.41 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.01 -33.99 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.99 -42.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.22 -33.99 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.497 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.03 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.0 66.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.57 -34.01 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.93 -34.07 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.92 -45.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.521 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.6 -46.06 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.4 -34.05 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.59 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -41.38 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -34.01 55.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.491 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -46.04 66.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.96 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.25 -34.02 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.39 67.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.05 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.91 -42.68 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.556 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.21 -34.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.436 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.06 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.5 -34.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.54 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.531 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.05 -33.99 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -65.46 -45.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.89 -46.03 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.478 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.05 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.02 66.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.481 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.74 -45.94 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.7 -33.94 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.498 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.59 66.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.04 58.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -41.31 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -33.99 55.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.487 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.09 77.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -45.99 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.526 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.75 -45.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.59 -34.04 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.64 67.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.94 -34.07 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.48 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -41.4 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.482 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.99 -34.01 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.491 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.01 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.24 75.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.99 -46.0 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.59 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.04 -45.96 66.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.7 -45.98 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.511 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.63 -33.97 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.64 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.97 -34.03 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.492 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.94 -41.35 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.3 -34.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.547 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.01 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.9 75.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.552 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.21 -45.95 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.78 -45.98 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.99 77.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.05 -45.95 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.03 -45.96 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.63 -33.98 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.21 67.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.02 -42.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.19 -33.96 52.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.554 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.0 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.81 -46.05 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.03 77.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.94 -45.82 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.98 87.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.1 -34.0 67.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -44.75 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.05 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -44.1 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.3 -33.9 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.449 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.17 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.01 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.98 -45.98 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.04 77.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.04 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.04 -45.97 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.75 -34.01 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.16 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.07 -33.99 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -43.36 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.92 -34.02 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.563 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.69 -46.03 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.19 -45.96 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.03 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.02 -45.99 66.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.02 -46.01 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.48 -33.98 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.07 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.03 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.527 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -43.96 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.5 -33.99 49.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.462 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.534 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.08 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.39 -45.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.8 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.96 76.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.98 -46.11 65.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.67 -46.05 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.518 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -69.95 -34.02 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.43 67.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -33.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.04 -39.17 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.469 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.92 -34.03 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.493 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.64 -46.02 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.08 -46.02 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.01 77.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.549 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.02 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -69.92 -34.08 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -70.02 -45.98 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.467 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.96 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.05 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -43.35 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.95 -33.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.07 77.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.7 -46.04 66.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.96 -46.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.78 -33.99 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.67 66.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.48 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.95 57.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -40.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.25 -34.04 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.92 -36.22 75.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.6 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.473 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.99 -46.0 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.48 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -58.02 -39.76 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.77 -43.62 98.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -39.41 78.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.09 -33.99 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.482 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -67.32 -41.06 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.62 -46.01 83.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.529 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.03 66.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.515 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.05 -45.7 88.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.507 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.42 -33.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.41 67.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.492 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.01 -33.99 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.99 -42.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.22 -33.99 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.497 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.03 -34.02 72.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.06 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -69.55 -45.95 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.07 -46.02 79.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.51 -46.0 90.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.12 -46.0 90.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.479 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.94 -37.49 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -69.99 -41.25 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -68.15 -46.03 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.632 -0.713 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.03 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.0 66.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.57 -34.01 62.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.62 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.93 -34.07 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.92 -45.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -46.03 65.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.96 -40.44 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -69.96 -46.0 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.487 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.42 -34.03 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.96 -46.02 66.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.507 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.436 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.94 -35.77 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.0 -40.14 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -70.03 -33.97 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.458 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.6 -46.06 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.4 -34.05 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.59 66.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.491 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.496 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -41.38 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.486 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -34.01 55.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -35.38 74.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.491 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.99 -43.52 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.34 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -67.55 -45.57 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.544 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.4 -44.39 96.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.51 76.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.82 -34.0 65.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.51 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.72 -41.14 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.444 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.65 -45.99 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.504 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.9 -46.0 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -46.04 66.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.96 87.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.25 -34.02 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -45.39 67.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.05 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.91 -42.68 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.556 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.21 -34.0 52.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.02 -34.01 72.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.436 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -43.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.471 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -61.06 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -68.67 -45.95 80.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.491 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -60.69 -45.98 92.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -38.28 75.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.36 -34.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.96 -42.98 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.66 -45.96 83.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.01 77.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.03 -46.02 65.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.64 -46.06 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.5 -34.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.54 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.531 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.05 -33.99 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -65.46 -45.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.498 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.89 -46.03 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.545 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.97 -46.02 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.478 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.04 -40.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -69.99 -46.02 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.493 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -66.44 -34.0 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.97 -46.03 66.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.01 -43.75 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.519 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -57.97 -35.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.98 -36.58 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.5 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -70.01 -34.01 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.629 -0.714 . . . . 0.0 . 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.05 77.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.02 66.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.481 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.74 -45.94 90.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.7 -33.94 62.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.498 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.59 66.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.95 -34.04 58.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.97 -41.31 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.487 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.06 -33.99 55.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.497 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.95 -43.57 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.47 -46.03 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.514 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -61.6 -42.24 93.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.31 -44.41 96.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.52 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.84 -33.95 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.512 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.74 -41.12 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.466 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.7 -46.02 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.466 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.591 -0.732 . . . . 0.0 . 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.34 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.88 -46.0 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.51 -46.05 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.534 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.09 77.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.91 -45.99 66.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.526 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.75 -45.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.59 -34.04 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.64 67.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.5 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.94 -34.07 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.48 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -41.4 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.482 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.99 -34.01 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.491 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.98 -35.47 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.91 -43.59 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.38 -46.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.46 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -64.5 -43.79 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.38 -44.46 96.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.01 -38.47 76.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.514 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.81 -34.03 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.63 -41.21 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.68 -46.01 83.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.452 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.01 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.24 75.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.99 -46.0 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.59 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.04 -45.96 66.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.7 -45.98 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.511 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -68.63 -33.97 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.98 -45.64 66.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.464 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.97 -34.03 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.492 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.94 -41.35 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.3 -34.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.99 -36.05 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.547 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.58 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -62.79 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -58.02 -39.94 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -62.53 -44.16 97.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.458 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.96 -38.53 76.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.518 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.83 -33.98 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -66.69 -41.15 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.508 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.64 -45.99 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.599 -0.728 . . . . 0.0 . 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.01 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.9 75.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.552 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.21 -45.95 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.78 -45.98 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.99 77.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.05 -45.95 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.03 -45.96 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.525 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -67.63 -33.98 65.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.21 67.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.96 -34.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.02 -42.1 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.513 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.19 -33.96 52.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.04 -44.18 78.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.477 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -70.0 -45.95 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.499 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -57.97 -45.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.538 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.54 -38.5 87.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.485 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.04 -38.42 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.34 -34.02 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.539 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.01 -40.76 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.58 -46.02 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.544 -0.753 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.0 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.81 -46.05 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.03 77.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.94 -45.82 66.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.99 -45.98 87.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.474 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.1 -34.0 67.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.474 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -44.75 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.05 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.498 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -44.1 86.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.3 -33.9 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -67.34 -34.04 76.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.449 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.01 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -68.48 -45.97 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.16 -46.01 78.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -57.95 -46.08 85.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.03 -45.94 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.518 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.02 -40.04 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.02 -41.51 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -68.83 -45.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 . -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.99 -34.03 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.17 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.57 -46.01 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.98 -45.98 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.04 77.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.96 -46.04 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.04 -45.97 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.75 -34.01 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.02 -45.16 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.07 -33.99 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.95 -43.36 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.529 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.92 -34.02 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -68.42 -33.98 75.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.0 -33.95 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -70.07 -42.92 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.477 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.26 -46.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.495 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.02 -45.94 89.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.09 -37.52 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.31 -34.03 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.469 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.94 -42.23 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -65.88 -46.06 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.716 . . . . 0.0 . -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.69 -46.03 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.19 -45.96 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.03 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.02 -45.99 66.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.02 -46.01 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.48 -33.98 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.528 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.07 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.487 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.03 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.527 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -57.98 -43.96 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.5 -33.99 49.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.462 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.52 -34.0 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.03 -34.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.475 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -69.97 -45.96 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -68.82 -46.01 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -59.5 -45.99 90.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.02 -37.74 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.22 -34.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.96 -41.93 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -66.92 -45.98 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.08 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -68.39 -45.99 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.487 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.8 -45.99 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.516 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.96 76.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.98 -46.11 65.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.67 -46.05 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.518 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -69.95 -34.02 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.518 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.43 67.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.99 -33.98 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.04 -39.17 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.469 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.92 -34.03 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.96 -38.37 76.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.493 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -43.74 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.457 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -64.97 -46.07 92.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.519 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -57.96 -38.0 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.0 -38.57 88.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.509 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.15 -33.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.475 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -70.05 -40.42 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.62 -45.99 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 0.0 . 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.13 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . . . -69.98 -34.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.467 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.93 -37.23 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -67.64 -46.02 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.456 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -60.08 -46.02 94.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.01 77.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.549 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.0 -46.02 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -69.92 -34.08 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -70.02 -45.98 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.467 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.96 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.84 -34.05 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -58.01 -43.35 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.95 -33.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . . . -69.24 -34.06 74.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.98 -43.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.503 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -60.54 -45.3 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.511 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -69.93 -46.09 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -60.28 -45.98 91.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.97 -38.2 75.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.53 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.39 -34.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . -57.95 -42.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -67.29 -45.97 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.993 . . . . . . . . 0 0 . 1 stop_ save_