data_2goh_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 2goh _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 ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.11 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.23 -42.19 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.03 -55.48 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.22 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.57 -56.97 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.46 -51.65 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.2 -59.12 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.166 0.508 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.64 67.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.74 -42.09 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.9 -59.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.526 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.79 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.04 -38.83 82.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.98 -51.97 41.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.15 -35.01 61.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.66 -38.59 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.55 -53.92 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.454 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.88 -30.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.0 -46.41 43.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -59.22 -53.02 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.145 0.498 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.64 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.28 -42.03 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.19 -58.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -30.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.63 -53.24 12.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.507 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.35 -50.68 50.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.495 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.16 -52.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.119 0.485 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.07 -35.23 64.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.11 -39.61 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.62 -55.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.22 -57.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.538 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.43 -52.3 39.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.05 -59.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.111 0.481 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.07 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.8 -39.95 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.22 -54.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.98 -55.22 8.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.473 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.56 -50.84 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.88 -59.99 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.528 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.564 -0.744 . . . . 0.0 . 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.172 0.511 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.93 70.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.34 -41.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.03 -56.16 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -48.08 -30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.31 -37.23 63.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.29 -50.88 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.08 -59.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.614 -0.721 . . . . 0.0 . 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.137 0.494 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.36 -35.35 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.27 -41.82 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -57.19 -54.0 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -30.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.09 -32.52 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.88 -50.59 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.74 -59.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 . -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.137 0.494 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -36.25 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.56 -40.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.29 -55.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.48 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -50.08 -30.02 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.97 -38.5 57.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.11 -51.27 59.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -60.03 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.57 -0.741 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.135 0.493 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.27 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.9 -40.71 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.98 -56.69 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -32.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.46 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.75 -46.74 51.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.71 -53.94 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.64 -60.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.19 0.519 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.64 69.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -40.79 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.8 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.87 -57.59 6.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.37 -52.86 33.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.27 -59.94 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.135 0.493 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.03 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.65 -39.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.96 -55.0 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -30.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.58 -55.32 6.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.02 -52.54 33.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 . -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.105 0.479 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.46 67.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.542 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.83 -41.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.24 -59.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -34.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.22 -35.73 78.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.73 -51.38 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.73 -59.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 121.135 0.493 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -35.86 66.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.513 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.4 -39.9 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.89 -52.26 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.75 -30.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.25 -50.1 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.486 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -53.51 -52.22 60.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.31 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.169 0.509 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.78 70.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.65 -42.31 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.6 -58.12 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.53 -40.42 66.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.12 -51.86 58.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.18 -60.02 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.169 0.509 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.01 -35.5 66.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.44 -40.96 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.522 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.35 -60.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.2 -53.12 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -59.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.115 0.483 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.7 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.87 -41.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.64 -56.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -49.32 -29.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.99 -35.73 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.517 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -68.74 -53.03 24.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.94 -59.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.172 0.51 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.81 -36.17 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.45 -41.29 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.31 -59.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -36.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.494 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -65.91 -37.67 86.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.34 -50.91 34.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.88 -60.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.02 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.29 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.02 -53.93 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -34.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -67.24 -58.07 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.467 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.04 -51.97 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.6 -59.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -35.71 66.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.486 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.8 -41.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -56.97 -56.36 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.516 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.79 -30.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.95 -34.48 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.02 -51.1 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.45 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.579 -0.737 . . . . 0.0 . -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.62 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.36 -40.95 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.508 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.24 -59.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -29.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.65 -52.61 14.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.64 -51.06 58.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.35 -60.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 . 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 121.13 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.2 -40.82 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.86 -60.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.475 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -30.0 58.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.92 -44.91 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.443 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.76 -42.37 91.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.64 -60.05 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.462 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.91 85.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.5 -56.8 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.456 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.97 -48.43 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.467 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.86 -35.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.501 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.11 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.23 -42.19 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.03 -55.48 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.22 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.57 -56.97 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.46 -51.65 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.2 -59.12 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.37 -41.69 57.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.02 -58.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.59 -31.26 69.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -72.1 -44.97 62.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.626 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.34 -46.0 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.519 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.04 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.37 78.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -76.01 -59.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.626 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.99 -47.62 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.48 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.91 -39.06 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.64 67.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.74 -42.09 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.9 -59.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.526 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.79 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.04 -38.83 82.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.98 -51.97 41.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.113 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.45 -38.42 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.85 -56.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.57 68.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.11 -45.23 67.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -62.85 -44.04 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.71 -59.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.512 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.74 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -68.86 -53.71 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -56.76 -46.46 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.36 -36.74 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.15 -35.01 61.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.66 -38.59 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.55 -53.92 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.454 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.88 -30.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.0 -46.41 43.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -59.22 -53.02 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.184 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.72 -40.84 54.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.13 -59.83 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -29.99 64.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.45 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -71.07 -44.48 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.16 -44.48 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.28 -57.63 10.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.85 72.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.99 -54.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -55.66 -48.06 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.498 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.75 -37.98 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.64 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.28 -42.03 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.19 -58.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -30.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.63 -53.24 12.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.507 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.35 -50.68 50.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.495 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.16 -52.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 121.149 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.81 -40.74 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.56 -60.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -69.27 -45.67 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.452 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.73 -42.69 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -61.21 -55.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.524 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.37 -39.44 74.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -71.67 -57.02 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -55.27 -46.28 78.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.515 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.91 -36.53 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.499 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.07 -35.23 64.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.11 -39.61 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.62 -55.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.22 -57.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.538 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.43 -52.3 39.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.05 -59.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 121.122 0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.3 -37.81 67.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.87 -55.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.69 75.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.484 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -72.38 -45.25 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.66 -44.58 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.49 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.4 -60.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.503 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.55 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.68 -57.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.22 -47.91 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.513 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.86 -30.82 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.07 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.8 -39.95 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.22 -54.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.98 -55.22 8.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.473 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.56 -50.84 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.88 -59.99 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.528 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.564 -0.744 . . . . 0.0 . 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.86 -38.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.483 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.49 -58.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.448 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.99 58.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.72 -44.58 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.76 -43.36 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.507 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.24 -60.02 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.484 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -32.05 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.01 -58.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -54.0 -46.17 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.26 -35.46 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.93 70.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.34 -41.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.03 -56.16 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -48.08 -30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.31 -37.23 63.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.29 -50.88 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.08 -59.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.614 -0.721 . . . . 0.0 . 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.25 -39.4 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.7 -58.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.494 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.24 -30.0 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.513 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.54 -44.63 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.32 -45.05 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.19 -60.02 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.15 94.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.05 -56.2 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.569 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.1 -49.62 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.515 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -56.73 -32.38 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.36 -35.35 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.27 -41.82 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -57.19 -54.0 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -30.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.09 -32.52 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.88 -50.59 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.74 -59.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 . -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.123 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.48 -38.87 61.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.452 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.17 -59.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.99 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.97 -44.51 76.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.508 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.29 -44.93 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.21 -57.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.25 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.516 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.06 -60.02 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.501 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.7 -49.2 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.75 -39.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -36.25 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.56 -40.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.29 -55.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.48 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -50.08 -30.02 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.97 -38.5 57.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.11 -51.27 59.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -60.03 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.57 -0.741 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.173 0.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.48 -39.01 61.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.96 -58.46 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.68 69.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.569 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.17 -45.23 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.6 -44.02 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.64 -60.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.08 -53.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.435 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -59.65 -42.4 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.17 -38.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.27 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.9 -40.71 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.98 -56.69 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -32.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.46 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.75 -46.74 51.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.71 -53.94 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.64 -60.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.82 -38.69 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.44 -59.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.66 -30.05 62.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.91 -44.53 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.85 -44.41 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.449 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.85 -60.01 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.537 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.94 -56.15 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.91 -48.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.474 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.6 -32.75 42.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.529 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.64 69.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -40.79 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.8 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.87 -57.59 6.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.37 -52.86 33.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.27 -59.94 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 121.136 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.45 -39.08 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.41 -58.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.02 55.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -65.82 -45.27 82.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.33 -42.54 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.494 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.04 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.0 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.53 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.32 -57.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.78 -46.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.47 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -56.73 -29.99 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.498 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.03 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.65 -39.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.96 -55.0 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -30.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.58 -55.32 6.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.02 -52.54 33.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 . -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.0 -39.46 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.64 -57.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.19 67.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -72.03 -44.92 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.508 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.07 -44.14 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.09 -60.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.27 74.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.542 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.99 -58.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -50.09 -48.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.52 -32.17 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.46 67.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.542 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.83 -41.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.24 -59.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -34.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.22 -35.73 78.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.73 -51.38 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.73 -59.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.93 -41.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.67 -60.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.537 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.33 -29.97 64.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.493 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.54 -44.19 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.02 -43.72 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.501 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -61.42 -54.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.475 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.88 90.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.494 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.53 -59.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.522 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -48.19 -49.94 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.467 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.16 -31.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -35.86 66.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.513 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.4 -39.9 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.89 -52.26 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.75 -30.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.25 -50.1 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.486 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -53.51 -52.22 60.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.31 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.53 -41.67 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.36 -59.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.498 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.78 71.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -71.06 -45.33 64.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.505 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.07 -43.86 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -62.12 -54.0 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.02 67.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -75.95 -49.32 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.545 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -63.22 -39.45 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.52 -37.63 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.78 70.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.65 -42.31 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.6 -58.12 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.53 -40.42 66.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.12 -51.86 58.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.18 -60.02 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.134 0.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -70.59 -37.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -58.51 -55.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.487 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -29.99 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.68 -44.86 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.66 -44.42 96.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.475 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.24 -59.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.483 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.41 81.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.56 -56.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -54.79 -47.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.528 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.1 -36.43 62.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.531 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.01 -35.5 66.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.44 -40.96 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.522 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.35 -60.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.2 -53.12 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -59.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.119 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.55 -39.47 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.97 -59.99 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.97 59.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.485 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.43 -45.55 75.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.63 -43.57 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.524 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.45 -60.01 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.48 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.05 -54.13 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -56.18 -46.14 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.29 -31.34 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.479 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.7 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.87 -41.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.64 -56.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -49.32 -29.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.99 -35.73 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.517 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -68.74 -53.03 24.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.94 -59.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.113 0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.72 -38.0 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.63 -59.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.96 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -68.76 -46.07 69.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.53 -43.97 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.524 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.3 -60.05 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.14 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.462 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.96 -54.2 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -56.7 -46.9 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.56 -38.6 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.81 -36.17 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.45 -41.29 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.31 -59.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -36.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.494 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -65.91 -37.67 86.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.34 -50.91 34.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.88 -60.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 121.138 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.16 -40.77 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.515 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -52.08 -59.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.472 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.03 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -65.54 -44.88 85.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.28 -44.24 98.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.81 -57.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.451 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.43 99.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.18 -54.38 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -56.43 -47.03 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.9 -41.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.02 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.29 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.02 -53.93 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -34.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -67.24 -58.07 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.467 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.04 -51.97 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.6 -59.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.46 -38.0 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.492 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.62 -59.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.01 21.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.494 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -63.88 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.79 -42.84 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -58.77 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.505 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.91 -56.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.03 -47.84 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.28 -35.2 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -35.71 66.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.486 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.8 -41.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -56.97 -56.36 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.516 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.79 -30.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.95 -34.48 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.02 -51.1 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.45 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.579 -0.737 . . . . 0.0 . -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 121.172 0.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.37 -39.36 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.462 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.81 -58.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.522 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.98 56.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -66.09 -45.95 79.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.84 -42.59 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.81 -60.03 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.21 -32.9 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.93 -55.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -54.46 -47.24 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.51 -36.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.62 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.36 -40.95 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.508 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.24 -59.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -29.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.65 -52.61 14.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.64 -51.06 58.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.35 -60.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 . 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.11 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.23 -42.19 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.03 -55.48 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.22 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.57 -56.97 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.46 -51.65 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.2 -59.12 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.166 0.508 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.64 67.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.74 -42.09 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.9 -59.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.526 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.79 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.04 -38.83 82.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.98 -51.97 41.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.15 -35.01 61.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.66 -38.59 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.55 -53.92 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.454 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.88 -30.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.0 -46.41 43.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -59.22 -53.02 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.145 0.498 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.64 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.28 -42.03 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.19 -58.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -30.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.63 -53.24 12.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.507 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.35 -50.68 50.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.495 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.16 -52.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.119 0.485 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.07 -35.23 64.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.11 -39.61 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.62 -55.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.22 -57.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.538 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.43 -52.3 39.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.05 -59.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.111 0.481 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.07 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.8 -39.95 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.22 -54.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.98 -55.22 8.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.473 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.56 -50.84 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.88 -59.99 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.528 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.564 -0.744 . . . . 0.0 . 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.172 0.511 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.93 70.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.34 -41.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.03 -56.16 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -48.08 -30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.31 -37.23 63.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.29 -50.88 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.08 -59.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.614 -0.721 . . . . 0.0 . 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.137 0.494 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.36 -35.35 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.27 -41.82 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -57.19 -54.0 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -30.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.09 -32.52 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.88 -50.59 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.74 -59.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 . -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.137 0.494 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -36.25 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.56 -40.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.29 -55.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.48 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -50.08 -30.02 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.97 -38.5 57.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.11 -51.27 59.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -60.03 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.57 -0.741 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.135 0.493 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.27 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.9 -40.71 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.98 -56.69 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -32.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.46 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.75 -46.74 51.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.71 -53.94 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.64 -60.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.19 0.519 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.64 69.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -40.79 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.8 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.87 -57.59 6.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.37 -52.86 33.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.27 -59.94 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.135 0.493 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.03 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.65 -39.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.96 -55.0 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -30.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.58 -55.32 6.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.02 -52.54 33.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 . -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.105 0.479 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.46 67.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.542 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.83 -41.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.24 -59.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -34.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.22 -35.73 78.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.73 -51.38 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.73 -59.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 121.135 0.493 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -35.86 66.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.513 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.4 -39.9 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.89 -52.26 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.75 -30.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.25 -50.1 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.486 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -53.51 -52.22 60.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.31 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.169 0.509 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.78 70.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.65 -42.31 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.6 -58.12 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.53 -40.42 66.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.12 -51.86 58.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.18 -60.02 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.169 0.509 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.01 -35.5 66.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.44 -40.96 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.522 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.35 -60.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.2 -53.12 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -59.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.115 0.483 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.7 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.87 -41.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.64 -56.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -49.32 -29.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.99 -35.73 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.517 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -68.74 -53.03 24.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.94 -59.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.172 0.51 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.81 -36.17 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.45 -41.29 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.31 -59.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -36.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.494 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -65.91 -37.67 86.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.34 -50.91 34.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.88 -60.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.02 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.29 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.02 -53.93 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -34.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -67.24 -58.07 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.467 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.04 -51.97 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.6 -59.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -35.71 66.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.486 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.8 -41.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -56.97 -56.36 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.516 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.79 -30.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.95 -34.48 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.02 -51.1 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.45 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.579 -0.737 . . . . 0.0 . -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.62 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.36 -40.95 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.508 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.24 -59.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -29.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.65 -52.61 14.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.64 -51.06 58.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.35 -60.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 . 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 121.13 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.2 -40.82 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.86 -60.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.475 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -30.0 58.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.92 -44.91 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.443 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.76 -42.37 91.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.64 -60.05 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.462 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.91 85.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.5 -56.8 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.456 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.97 -48.43 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.467 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.86 -35.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.501 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.11 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.23 -42.19 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.03 -55.48 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.22 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.57 -56.97 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.46 -51.65 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.2 -59.12 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.37 -41.69 57.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.02 -58.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.59 -31.26 69.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -72.1 -44.97 62.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.34 -46.0 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.519 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.04 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.37 78.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -76.01 -59.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.99 -47.62 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.48 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.91 -39.06 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.64 67.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.74 -42.09 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.9 -59.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.526 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.79 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.04 -38.83 82.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.98 -51.97 41.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.113 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.45 -38.42 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.85 -56.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.57 68.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.11 -45.23 67.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -62.85 -44.04 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.71 -59.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.512 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.74 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -68.86 -53.71 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -56.76 -46.46 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.36 -36.74 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.15 -35.01 61.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.66 -38.59 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.55 -53.92 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.454 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.88 -30.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.0 -46.41 43.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -59.22 -53.02 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.184 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.72 -40.84 54.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.13 -59.83 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -29.99 64.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.45 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -71.07 -44.48 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.16 -44.48 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.28 -57.63 10.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.85 72.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.99 -54.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -55.66 -48.06 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.498 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.75 -37.98 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.64 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.28 -42.03 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.19 -58.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -30.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.63 -53.24 12.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.507 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.35 -50.68 50.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.495 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.16 -52.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 121.149 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.81 -40.74 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.56 -60.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -69.27 -45.67 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.452 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.73 -42.69 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -61.21 -55.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.524 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.37 -39.44 74.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -71.67 -57.02 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -55.27 -46.28 78.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.515 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.91 -36.53 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.499 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.07 -35.23 64.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.11 -39.61 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.62 -55.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.22 -57.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.538 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.43 -52.3 39.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.05 -59.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 121.122 0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.3 -37.81 67.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.87 -55.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.69 75.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.484 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -72.38 -45.25 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.66 -44.58 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.49 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.4 -60.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.503 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.55 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.68 -57.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.22 -47.91 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.513 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.86 -30.82 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.07 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.8 -39.95 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.22 -54.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.98 -55.22 8.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.473 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.56 -50.84 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.88 -59.99 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.528 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.564 -0.744 . . . . 0.0 . 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.86 -38.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.483 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.49 -58.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.448 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.99 58.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.72 -44.58 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.76 -43.36 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.507 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.24 -60.02 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.484 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -32.05 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.01 -58.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -54.0 -46.17 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.26 -35.46 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.93 70.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.34 -41.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.03 -56.16 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -48.08 -30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.31 -37.23 63.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.29 -50.88 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.08 -59.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.614 -0.721 . . . . 0.0 . 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.25 -39.4 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.7 -58.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.494 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.24 -30.0 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.513 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.54 -44.63 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.32 -45.05 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.19 -60.02 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.15 94.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.05 -56.2 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.1 -49.62 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.515 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -56.73 -32.38 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.36 -35.35 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.27 -41.82 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -57.19 -54.0 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -30.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.09 -32.52 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.88 -50.59 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.74 -59.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 . -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.123 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.48 -38.87 61.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.452 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.17 -59.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.99 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.97 -44.51 76.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.508 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.29 -44.93 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.21 -57.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.25 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.516 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.06 -60.02 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.501 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.7 -49.2 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.75 -39.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -36.25 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.56 -40.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.29 -55.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.48 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -50.08 -30.02 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.97 -38.5 57.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.11 -51.27 59.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -60.03 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.57 -0.741 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.173 0.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.48 -39.01 61.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.96 -58.46 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.68 69.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.569 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.17 -45.23 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.6 -44.02 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.64 -60.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.08 -53.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.435 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -59.65 -42.4 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.17 -38.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.27 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.9 -40.71 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.98 -56.69 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -32.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.46 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.75 -46.74 51.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.71 -53.94 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.64 -60.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.82 -38.69 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.44 -59.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.66 -30.05 62.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.91 -44.53 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.85 -44.41 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.449 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.85 -60.01 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.537 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.94 -56.15 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.91 -48.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.6 -32.75 42.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.529 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.64 69.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -40.79 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.8 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.87 -57.59 6.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.37 -52.86 33.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.27 -59.94 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 121.136 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.45 -39.08 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.41 -58.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.02 55.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -65.82 -45.27 82.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.33 -42.54 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.494 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.04 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.0 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.53 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.32 -57.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.78 -46.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.47 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -56.73 -29.99 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.498 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.03 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.65 -39.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.96 -55.0 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -30.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.58 -55.32 6.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.02 -52.54 33.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 . -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.0 -39.46 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.64 -57.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.19 67.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -72.03 -44.92 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.508 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.07 -44.14 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.09 -60.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.27 74.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.542 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.99 -58.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -50.09 -48.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.52 -32.17 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.46 67.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.542 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.83 -41.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.24 -59.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -34.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.22 -35.73 78.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.73 -51.38 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.73 -59.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.93 -41.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.67 -60.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.537 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.33 -29.97 64.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.493 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.54 -44.19 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.02 -43.72 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.501 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -61.42 -54.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.475 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.88 90.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.494 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.53 -59.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.522 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -48.19 -49.94 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.467 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.16 -31.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -35.86 66.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.513 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.4 -39.9 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.89 -52.26 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.75 -30.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.25 -50.1 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.486 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -53.51 -52.22 60.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.31 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.53 -41.67 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.36 -59.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.498 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.78 71.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -71.06 -45.33 64.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.505 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.07 -43.86 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -62.12 -54.0 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.02 67.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -75.95 -49.32 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.545 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -63.22 -39.45 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.52 -37.63 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.78 70.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.65 -42.31 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.6 -58.12 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.53 -40.42 66.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.12 -51.86 58.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.18 -60.02 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.134 0.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -70.59 -37.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -58.51 -55.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.487 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -29.99 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.68 -44.86 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.66 -44.42 96.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.475 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.24 -59.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.483 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.41 81.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.56 -56.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -54.79 -47.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.528 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.1 -36.43 62.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.531 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.01 -35.5 66.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.44 -40.96 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.522 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.35 -60.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.2 -53.12 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -59.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.119 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.55 -39.47 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.97 -59.99 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.97 59.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.485 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.43 -45.55 75.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.63 -43.57 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.45 -60.01 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.48 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.05 -54.13 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -56.18 -46.14 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.29 -31.34 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.479 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.7 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.87 -41.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.64 -56.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -49.32 -29.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.99 -35.73 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.517 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -68.74 -53.03 24.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.94 -59.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.113 0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.72 -38.0 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.63 -59.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.96 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -68.76 -46.07 69.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.53 -43.97 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.524 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.3 -60.05 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.14 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.462 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.96 -54.2 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -56.7 -46.9 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.56 -38.6 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.81 -36.17 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.45 -41.29 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.31 -59.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -36.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.494 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -65.91 -37.67 86.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.34 -50.91 34.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.88 -60.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 121.138 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.16 -40.77 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.515 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -52.08 -59.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.472 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.03 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -65.54 -44.88 85.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.28 -44.24 98.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.81 -57.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.451 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.43 99.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.18 -54.38 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -56.43 -47.03 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.9 -41.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.02 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.29 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.02 -53.93 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -34.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -67.24 -58.07 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.467 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.04 -51.97 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.6 -59.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.46 -38.0 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.492 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.62 -59.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.01 21.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.494 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -63.88 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.79 -42.84 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -58.77 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.505 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.91 -56.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.03 -47.84 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.28 -35.2 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -35.71 66.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.486 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.8 -41.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -56.97 -56.36 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.516 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.79 -30.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.95 -34.48 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.02 -51.1 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.45 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.579 -0.737 . . . . 0.0 . -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 121.172 0.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.37 -39.36 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.462 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.81 -58.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.522 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.98 56.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -66.09 -45.95 79.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.84 -42.59 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.81 -60.03 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.21 -32.9 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.93 -55.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -54.46 -47.24 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.51 -36.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.62 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.36 -40.95 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.508 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.24 -59.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -29.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.65 -52.61 14.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.64 -51.06 58.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.35 -60.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 . 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.143 0.497 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.11 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.23 -42.19 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.03 -55.48 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.22 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.57 -56.97 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.46 -51.65 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.2 -59.12 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.166 0.508 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.64 67.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.74 -42.09 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.9 -59.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.526 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.79 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.04 -38.83 82.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.98 -51.97 41.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.15 -35.01 61.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.66 -38.59 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.55 -53.92 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.454 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.88 -30.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.0 -46.41 43.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -59.22 -53.02 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.145 0.498 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.64 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.28 -42.03 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.19 -58.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -30.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.63 -53.24 12.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.507 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.35 -50.68 50.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.495 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.16 -52.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.119 0.485 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.07 -35.23 64.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.11 -39.61 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.62 -55.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.22 -57.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.538 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.43 -52.3 39.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.05 -59.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.111 0.481 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.07 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.8 -39.95 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.22 -54.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.98 -55.22 8.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.473 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.56 -50.84 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.88 -59.99 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.528 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.564 -0.744 . . . . 0.0 . 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.172 0.511 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.93 70.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.34 -41.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.03 -56.16 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -48.08 -30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.31 -37.23 63.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.29 -50.88 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.08 -59.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.614 -0.721 . . . . 0.0 . 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.137 0.494 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.36 -35.35 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.27 -41.82 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -57.19 -54.0 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -30.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.09 -32.52 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.88 -50.59 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.74 -59.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 . -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.137 0.494 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -36.25 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.56 -40.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.29 -55.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.48 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -50.08 -30.02 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.97 -38.5 57.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.11 -51.27 59.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -60.03 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.57 -0.741 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.135 0.493 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.27 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.9 -40.71 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.98 -56.69 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -32.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.46 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.75 -46.74 51.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.71 -53.94 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.64 -60.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.19 0.519 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.64 69.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -40.79 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.8 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.87 -57.59 6.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.37 -52.86 33.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.27 -59.94 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.135 0.493 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.03 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.65 -39.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.96 -55.0 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -30.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.58 -55.32 6.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.02 -52.54 33.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 . -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.105 0.479 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.46 67.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.542 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.83 -41.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.24 -59.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -34.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.22 -35.73 78.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.73 -51.38 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.73 -59.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 121.135 0.493 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -35.86 66.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.513 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.4 -39.9 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.89 -52.26 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.75 -30.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.25 -50.1 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.486 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -53.51 -52.22 60.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.31 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.169 0.509 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.78 70.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.65 -42.31 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.6 -58.12 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.53 -40.42 66.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.12 -51.86 58.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.18 -60.02 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.169 0.509 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.01 -35.5 66.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.44 -40.96 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.522 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.35 -60.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.2 -53.12 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -59.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.115 0.483 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.7 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.87 -41.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.64 -56.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -49.32 -29.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.99 -35.73 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.517 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -68.74 -53.03 24.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.94 -59.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.172 0.51 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.81 -36.17 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.45 -41.29 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.31 -59.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -36.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.494 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -65.91 -37.67 86.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.34 -50.91 34.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.88 -60.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.02 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.29 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.02 -53.93 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -34.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -67.24 -58.07 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.467 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.04 -51.97 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.6 -59.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -35.71 66.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.486 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.8 -41.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -56.97 -56.36 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.516 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.79 -30.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.95 -34.48 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.02 -51.1 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.45 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.579 -0.737 . . . . 0.0 . -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.11 0.481 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.62 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.36 -40.95 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.508 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.24 -59.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -29.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.65 -52.61 14.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.64 -51.06 58.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.35 -60.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 . 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 121.13 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.2 -40.82 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.86 -60.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.475 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.11 -30.0 58.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.92 -44.91 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.443 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.76 -42.37 91.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.64 -60.05 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.462 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.91 85.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -70.5 -56.8 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.456 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.97 -48.43 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.467 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.86 -35.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.501 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.11 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.23 -42.19 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.03 -55.48 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.22 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.57 -56.97 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.46 -51.65 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.2 -59.12 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.606 -0.725 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.37 -41.69 57.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.02 -58.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.59 -31.26 69.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.505 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -72.1 -44.97 62.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.34 -46.0 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.519 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.04 -59.99 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.37 78.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -76.01 -59.85 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.99 -47.62 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.48 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.91 -39.06 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.88 -36.64 67.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.74 -42.09 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.9 -59.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.526 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.79 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.04 -38.83 82.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -67.98 -51.97 41.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.113 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.45 -38.42 68.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.85 -56.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.57 68.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.11 -45.23 67.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.527 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -62.85 -44.04 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.71 -59.97 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.512 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -40.74 96.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.511 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -68.86 -53.71 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -56.76 -46.46 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.36 -36.74 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.15 -35.01 61.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.66 -38.59 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.483 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.55 -53.92 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.454 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.88 -30.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.0 -46.41 43.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -59.22 -53.02 62.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.571 -0.741 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.184 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.72 -40.84 54.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.13 -59.83 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.484 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.52 -29.99 64.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.45 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -71.07 -44.48 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.16 -44.48 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.28 -57.63 10.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.85 72.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.99 -54.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -55.66 -48.06 78.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.498 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.75 -37.98 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.64 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.525 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.28 -42.03 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.19 -58.16 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -30.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.63 -53.24 12.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.507 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.35 -50.68 50.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.495 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.16 -52.51 59.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 . 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 121.149 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.81 -40.74 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.56 -60.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -69.27 -45.67 69.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.452 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.73 -42.69 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -61.21 -55.35 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.524 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.37 -39.44 74.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -71.67 -57.02 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -55.27 -46.28 78.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.515 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.91 -36.53 67.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.499 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.07 -35.23 64.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.11 -39.61 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.62 -55.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.22 -57.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.538 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.43 -52.3 39.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.05 -59.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.493 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 121.122 0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.3 -37.81 67.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.504 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -59.87 -55.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.69 75.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.484 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -72.38 -45.25 60.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.66 -44.58 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.49 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.4 -60.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.503 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.55 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.68 -57.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.22 -47.91 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.513 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.86 -30.82 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.496 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.07 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.8 -39.95 76.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.22 -54.27 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.04 -30.51 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.98 -55.22 8.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.473 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.56 -50.84 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.88 -59.99 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.528 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.564 -0.744 . . . . 0.0 . 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.86 -38.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.483 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.49 -58.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.448 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -29.99 58.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.497 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.72 -44.58 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.495 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.76 -43.36 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.507 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.24 -60.02 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.484 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.36 -32.05 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.01 -58.34 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -54.0 -46.17 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.26 -35.46 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.93 70.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.491 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.34 -41.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.03 -56.16 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -48.08 -30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.53 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -74.31 -37.23 63.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.506 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.29 -50.88 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.514 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.08 -59.37 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.614 -0.721 . . . . 0.0 . 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.209 0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.25 -39.4 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.7 -58.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.494 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.24 -30.0 61.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.513 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -69.54 -44.63 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.32 -45.05 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.19 -60.02 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.15 94.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.05 -56.2 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.1 -49.62 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.515 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -56.73 -32.38 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.36 -35.35 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.49 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.27 -41.82 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.487 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -57.19 -54.0 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -30.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.09 -32.52 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.88 -50.59 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.74 -59.95 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 . -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.123 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.48 -38.87 61.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.452 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.17 -59.96 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.99 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.474 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.97 -44.51 76.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.508 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.29 -44.93 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.21 -57.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.25 95.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.516 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.06 -60.02 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.501 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -51.7 -49.2 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.75 -39.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.8 -36.25 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.56 -40.39 62.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.29 -55.47 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.48 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -50.08 -30.02 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.97 -38.5 57.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -66.11 -51.27 59.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -60.03 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.57 -0.741 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.173 0.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.48 -39.01 61.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.494 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.96 -58.46 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.68 69.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.569 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.17 -45.23 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.6 -44.02 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.64 -60.03 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.481 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.08 -53.35 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.435 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -59.65 -42.4 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.17 -38.39 76.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.27 65.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.9 -40.71 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.98 -56.69 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -32.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.46 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.75 -46.74 51.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.5 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.71 -53.94 51.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.516 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.64 -60.02 3.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.82 -38.69 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.44 -59.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.66 -30.05 62.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.91 -44.53 66.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.85 -44.41 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.449 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.85 -60.01 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.537 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.94 -56.15 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.91 -48.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.6 -32.75 42.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.529 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.64 69.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.05 -40.79 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.8 -57.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -35.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -66.87 -57.59 6.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.491 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.37 -52.86 33.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.27 -59.94 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.577 -0.738 . . . . 0.0 . -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 121.136 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.45 -39.08 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.41 -58.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.02 55.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.512 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -65.82 -45.27 82.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -59.33 -42.54 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.494 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.04 -59.92 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.0 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.53 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.32 -57.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.46 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.78 -46.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.47 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -56.73 -29.99 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.498 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.03 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.65 -39.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.96 -55.0 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -30.02 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.58 -55.32 6.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -50.02 -52.54 33.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.0 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.496 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 . -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.0 -39.46 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.64 -57.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.19 67.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -72.03 -44.92 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.508 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.07 -44.14 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.09 -60.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.27 74.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.542 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.99 -58.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -50.09 -48.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.52 -32.17 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.46 67.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.542 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.83 -41.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.24 -59.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -34.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.513 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -68.22 -35.73 78.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.73 -51.38 23.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.73 -59.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 . 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.93 -41.37 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.67 -60.02 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.537 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.33 -29.97 64.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.493 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.54 -44.19 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.495 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.02 -43.72 93.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.501 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -61.42 -54.82 29.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.475 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.88 90.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.494 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.53 -59.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.522 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -48.19 -49.94 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.467 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.16 -31.6 37.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -35.86 66.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.513 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.4 -39.9 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -59.89 -52.26 63.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.75 -30.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.25 -50.1 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.486 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -53.51 -52.22 60.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.31 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.529 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.53 -41.67 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.36 -59.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.498 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.78 71.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 15' ' ' ILE . . . -71.06 -45.33 64.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.505 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.07 -43.86 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -62.12 -54.0 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.494 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.02 67.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.504 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -75.95 -49.32 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.545 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -63.22 -39.45 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.52 -37.63 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.95 -36.78 70.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.65 -42.31 71.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.6 -58.12 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -31.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.521 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.53 -40.42 66.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -65.12 -51.86 58.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.18 -60.02 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 . 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.134 0.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -70.59 -37.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -58.51 -55.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.487 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -29.99 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -70.68 -44.86 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -60.66 -44.42 96.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.475 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.24 -59.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.483 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.41 81.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.56 -56.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -54.79 -47.35 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.528 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.1 -36.43 62.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.531 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.01 -35.5 66.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.44 -40.96 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.522 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.35 -60.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.493 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.2 -53.12 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.455 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -52.52 -51.93 57.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.47 -59.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.119 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.55 -39.47 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.97 -59.99 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.97 59.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.485 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -67.43 -45.55 75.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.63 -43.57 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.45 -60.01 3.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.529 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.48 -31.86 73.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -76.05 -54.13 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -56.18 -46.14 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.29 -31.34 37.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.479 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.7 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -72.87 -41.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -57.64 -56.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -49.32 -29.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -75.99 -35.73 59.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.517 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -68.74 -53.03 24.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.94 -59.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.525 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.113 0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.72 -38.0 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.63 -59.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.96 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.477 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -68.76 -46.07 69.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.53 -43.97 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.524 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.3 -60.05 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.14 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.462 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.96 -54.2 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -56.7 -46.9 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.56 -38.6 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.81 -36.17 67.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.45 -41.29 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.31 -59.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -36.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.494 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -65.91 -37.67 86.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.34 -50.91 34.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.88 -60.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 . 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 121.138 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.16 -40.77 66.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.515 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -52.08 -59.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.472 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.03 27.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -65.54 -44.88 85.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.28 -44.24 98.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -60.81 -57.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.451 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.43 99.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -69.18 -54.38 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.52 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -56.43 -47.03 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.9 -41.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.02 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.02 -39.29 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -58.02 -53.93 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -34.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -67.24 -58.07 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.467 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -48.04 -51.97 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.474 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.6 -59.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.478 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.596 -0.729 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.168 0.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.46 -38.0 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.492 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -54.62 -59.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.01 21.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.494 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -63.88 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.529 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.79 -42.84 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -58.77 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.505 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.78 -32.52 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.502 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.91 -56.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.03 -47.84 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.51 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.28 -35.2 56.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -35.71 66.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.486 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -71.8 -41.68 70.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.509 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -56.97 -56.36 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.516 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.79 -30.05 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.95 -34.48 66.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.02 -51.1 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -58.97 -60.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.45 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.579 -0.737 . . . . 0.0 . -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 121.172 0.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.37 -39.36 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.462 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -53.81 -58.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.522 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.98 56.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -66.09 -45.95 79.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.84 -42.59 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -59.81 -60.03 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.21 -32.9 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.527 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -75.93 -55.87 10.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -54.46 -47.24 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.51 -36.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.61 -34.62 59.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -73.36 -40.95 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.508 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.24 -59.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -29.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.65 -52.61 14.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -51.64 -51.06 58.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -59.35 -60.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.577 -0.738 . . . . 0.0 . 179.994 . . . . . . . . 0 0 . 1 stop_ save_